AG008TDR

1035270-39-3 | rel-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide

AG008TDR

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CAS Number	1035270-39-3
Catalog Number	AG008TDR(AGN-PC-0WACGP)
Chemical Name	rel-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
IUPAC Name	N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
InChI	InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
InChI Key	VRQMAABPASPXMW-HDICACEKSA-N
MDL Number	MFCD22580423
Molecular Formula	C26H33N5O3
Molecular Weight	463.5719
SMILES	COC=1C=C(C=C(C1)OC)CCC1=CC(=NN1)NC(C1=CC=C(C=C1)N1C[C@H](N[C@H](C1)C)C)=O
UNII	2167OG1EKJ
Synonyms	AZD4547, N-(5-(2-(3,5-dimethoxyphenyl)ethyl)-2H-pyrazol-3-yl)-4-(3,5-diemthylpiperazin-1-yl)benzamide, AZD4547, 1035270-39-3, AZD-4547, AZD 4547, UNII-2167OG1EKJ, 2167OG1EKJ, CHEBI:63453, N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-rel-3,5-dimethylpiperazin-1-yl)benzamide, N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide, N-{3-[2-(3,5-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-4-[(3r,5s)-3,5-Dimethylpiperazin-1-Yl]benzamide, N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide, N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide, rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide, 66T, KB-74810, Tube729, SCHEMBL63884, GTPL7707, QCR-89, SCHEMBL15250892, DTXSID80145887, VRQMAABPASPXMW-HDICACEKSA-N, AOB87745, EX-A1578, 2240AH, ABP000893, MFCD20527275, s2801, ZINC95616598, AKOS024464898, AZD4547/AZD-4547/, BCP9000364, CS-0971, DB12247, INB0001243, RL00169, SB20458, NCGC00346713-01, NCGC00346713-05, AC-28442, AS-17054, BC261861, HY-13330, AX8222893, SW219341-1, Q-4033, J-000994, J-524217, N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide, N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide, rel-, N-(5-(3,5-Dimethoxyphenethyl)-4H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide, N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-Benzamide, N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin -1-yl]benzamide, N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide, rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide, AZD4547, Free Base, D0NU0U, CHEMBL3348846, C26H33N5O3, ACN-037519, A8350, A11075, N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide, AZD4547, 98%, a potent inhibitor of the FGFR family - 10MG 10mg,

Complexity	622
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	463.258g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	463.582g/mol
Monoisotopic Mass	463.258g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	91.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335-H413
Packing Group	\N
Precautionary statements	P261-P273-P305+P351+P338
UN Code	\N

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