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Summary Geometry Related PDB entries

A1AZP

Summary

Name:	(5P)-5-[(4R)-6-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-amine
Formula:	C16 H15 F3 N4
Formal charge:	0
Formula weight:	320.312 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5P)-5-[(4R)-6-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-amine
OpenEye OEToolkits	2.0.7	5-(6-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-3-(trifluoromethyl)pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cc(cnc1N)c1ncn2cc(ccc12)C(C)C
InChI	InChI	1.06	InChI=1S/C16H15F3N4/c1-9(2)10-3-4-13-14(22-8-23(13)7-10)11-5-12(16(17,18)19)15(20)21-6-11/h3-9H,1-2H3,(H2,20,21)
InChIKey	InChI	1.06	MQVIMOBDRXHSME-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1ccc2n(cnc2c3cnc(N)c(c3)C(F)(F)F)c1
SMILES	CACTVS	3.385	CC(C)c1ccc2n(cnc2c3cnc(N)c(c3)C(F)(F)F)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)c1ccc2c(ncn2c1)c3cc(c(nc3)N)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1ccc2c(ncn2c1)c3cc(c(nc3)N)C(F)(F)F

247536

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