AG003AGN

911417-87-3 | 2-[3-[4-[(1H-Indazol-5-yl)amino]quinazolin-2-yl]phenoxy]-N-isopropylacetamide

AG003AGN

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CAS Number	911417-87-3
Catalog Number	AG003AGN(AGN-PC-0WALJE)
Chemical Name	2-[3-[4-[(1H-Indazol-5-yl)amino]quinazolin-2-yl]phenoxy]-N-isopropylacetamide
IUPAC Name	2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
InChI	InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
InChI Key	GKHIVNAUVKXIIY-UHFFFAOYSA-N
MDL Number	MFCD23098791
Molecular Formula	C26H24N6O2
Molecular Weight	452.5078
SMILES	CC(C)NC(=O)COC1=CC(=CC=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1
UNII	834YJF89WO
Synonyms	KD025, 911417-87-3, SLx-2119, KD-025, KD025, UNII-834YJF89WO, SLx 2119, KD025 (SLx-2119), 2-(3-(4-((1H-indazol-5-yl)amino)quinazolin-2-yl)phenoxy)-N-isopropylacetamide, SLx2119, 834YJF89WO, C26H24N6O2, 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide, 2-(3-(4-(1H-indazol-5-ylamino)quinazolin-2-yl)phenoxy)-N-isopropylacetamide, 2-[3-[4-[(1H-Indazol-5-yl)amino]quinazolin-2-yl]phenoxy]-N-isopropylacetamide, ROCK inhibitor 2, Kinome_2597, SCHEMBL878202, GTPL9558, kd025-(slx-2119), CHEMBL2005186, DTXSID80238425, GKHIVNAUVKXIIY-UHFFFAOYSA-N, BDBM322155, BCP15921, EX-A2314, 4050AH, KD 025, MFCD23098791, s7936, ZINC63298464, SLx-2119(KD-025), SLx-2119; KD-025, CS-0776, SB16915, Acetamide, 2-(3-(4-(1H-indazol-5-ylamino)-2-quinazolinyl)phenoxy)-N-(1-methylethyl)-, NCGC00378903-01, AK341023, AS-35230, HY-15307, US10183931, SLx-2119, KS-00000641, W-5995, 2-(3-{4-[(1H-indazol-5-yl)amino]quinazolin-2-yl}phenoxy)-N-(propan-2-yl)acetamide, ROCK Inhibitor, KD-025 Free base, CID11950170, A3825, A15239, 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-yl-acetamide,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	452.196g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	452.518g/mol
Monoisotopic Mass	452.196g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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