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Summary Geometry Related PDB entries

QMY

Summary

Name:	6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine
Formula:	C18 H15 F2 N5
Formal charge:	0
Formula weight:	339.342 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine
OpenEye OEToolkits	2.0.6	6-[3-[2,2-bis(fluoranyl)ethyl]-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4cccc(C)n4
InChI	InChI	1.03	InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3
InChIKey	InChI	1.03	WLMJUROXDOGLTR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3
SMILES	CACTVS	3.385	Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3

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