AG00GRV3

937174-76-0 | 4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol

AG00GRV3

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CAS Number	937174-76-0
Catalog Number	AG00GRV3(AGN-PC-0W3CQK)
Chemical Name	4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol
IUPAC Name	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
InChI	InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
InChI Key	KGPGFQWBCSZGEL-ZDUSSCGKSA-N
MDL Number	MFCD14105605
Molecular Formula	C21H27N7O3
Molecular Weight	425.4842
SMILES	CC(O)(C)C#CC1=NC=C(OC[C@@H]2CNCCC2)C3=C1N=C(C4=NON=C4N)N3CC
UNII	GWH480321B
Synonyms	GSK690693, 937174-76-0, GSK690693, GSK-690693, GSK 690693, UNII-GWH480321B, (S)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol, CHEBI:90677, GWH480321B, 4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol, 4-{2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-1-Ethyl-7-[(3s)-Piperidin-3-Ylmethoxy]-1h-Imidazo[4,5-C]pyridin-4-Yl}-2-Methylbut-3-Yn-2-Ol, J-502225, C21H27N7O3, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, (R)-4-(2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-(PIPERIDIN-3-YLMETHOXY)-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL)-2-METHYLBUT-3-YN-2-OL, G93, compound 3g [PMID 18800763], SCHEMBL310452, CHEMBL494089, GTPL5196, BDBM25013, CTK5H2854, AOB6674, DTXSID60239551, EX-A031, SYN1043, BCP01721, KS-00001CQ5, ABP000406, ANW-64913, MFCD18711681, s1113, ZINC34285211, AKOS015904356, AN-6637, BCP9000745, DB12745, QC-7252, SB16561, NCGC00263181-01, AC-23166, AJ-87802, AS-16204, BC644867, HY-10249, AX8234847, GSK690693,GSK-690693, GSK690693/GSK-690693, TX-013143, FT-0770878, SW218127-2, Y0271, GSK690693, >=98% (HPLC), 174G760, I14-17016, GSK 690693, GSK-690693, 937174-76-0, (R)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-yl-MeO)-1H-imidazo[4,5-c]pyridin-4-yl)-2-Me-but-3-yn-2-ol, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-3-piperidinylmethoxy]-1h-imidazo[4,5-c]pyridin-4, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-3-piperidyl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methyl-but-3-yn-2-ol, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-piperidin-3-yl]methoxy}-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cc-44, D0MS3Z, CS-0003, A5072, A11030, C528328,

Complexity	680
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	425.218g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	425.493g/mol
Monoisotopic Mass	425.218g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	137A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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