AG00FBZC

722543-31-9 | 5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide

AG00FBZC

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CAS Number	722543-31-9
Catalog Number	AG00FBZC
Chemical Name	5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide
IUPAC Name	2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate
InChI	InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
InChI Key	GBJVVSCPOBPEIT-UHFFFAOYSA-N
MDL Number	MFCD14636515
Molecular Formula	C26H31FN7O6P
Molecular Weight	587.5398
SMILES	O=P(OCCN(CCCOC1=CC2=NC=NC(NC3=NNC(CC(NC4=CC=CC(F)=C4)=O)=C3)=C2C=C1)CC)(O)O
UNII	16XC2U7W8N
Synonyms	2-((3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)(ethyl)amino)ethyl dihydrogen phosphate, AZD 1152, AZD-1152, AZD1152, barasertib, Barasertib, AZD1152, 722543-31-9, AZD-1152, UNII-16XC2U7W8N, 957881-03-7, AZD1152 (Barasertib), 16XC2U7W8N, CHEMBL415049, 2-(ETHYL(3-((4-((5-(2-((3-FLUOROPHENYL)AMINO)-2-OXOETHYL)-1H-PYRAZOL-3-YL)AMINO)QUINAZOLIN-7-YL)OXY)PROPYL)AMINO)ETHYL DIHYDROGEN PHOSPHATE, 5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide, 2-(Ethyl(3-((4-((3-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-5-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate, 3-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-5-acetamide, Barasertib [INN], 2-{ethyl[3-({4-[(5-(2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]quinazolin-7-yl}oxy)propyl]amino}ethyl dihydrogen phosphate, 2-{ethyl[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]quinazolin-7-yl}oxy)propyl]amino}ethyl dihydrogen phosphate, Kinome_3324, PubChem16656, SCHEMBL613582, GTPL7332, SCHEMBL16671950, DTXSID00222583, BCPP000362, AOB87338, BCP01734, BCP13793, CS-D0326, ABP000116, BDBM50241089, MFCD15146330, ZINC43129461, AZD1152/AZD-1152/, AN-1226, BCP9000360, CS-0978, CS-W000582, DB11747, SB16659, AZD1152, 33, NCGC00378734-03, AS-17018, HY-10127, DB-074538, A9414, FT-0662378, FT-0736007, A15011, W-5588, 543E319, 881A037, S14-2315, 1H-Pyrazole-3-acetamide, 5-((7-(3-(ethyl(2- (phosphonooxy)ethyl)amino)propoxy)-4-quinazolinyl)amino)-N-(3-fluorophenyl)-, 1H-Pyrazole-3-acetamide,5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-, 2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoethyl)-1H-pyrazol-3-ylamino)quinazolin-7-yloxy)propyl)amino)ethyl dihydrogen phosphate, 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate, 2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxo-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate, 2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate, 2-{ethyl[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]quinazolin-7-yl}oxy)proplyl]amino}ethyl dihydrogen phosphate, 2-ethyl3-4-5-2-3-fluorophenylamino)-2-oxoethyl)-1H-pyrazol-3-ylamino)quinazolin-7-yloxy)propyl)amino)ethyl dihydrogen phosphate, N-(3-Fluorophenyl)-3-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propyloxy]quinazoline-4-yl]amino]-1H-pyrazole-5-acetamide, D0Q7RE, AZD 1152, cc-444, AZD-1152-HQPA, CID11497983, CID 11497983, A3214, C520647, 2-((3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)(ethyl)amino)ethyl dihydrogen phosphate, 722544-51-6,

Complexity	859
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	587.206g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	587.549g/mol
Monoisotopic Mass	587.206g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	175A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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