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Summary Geometry Related PDB entries

X1T

Summary

Name:	6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
Formula:	C21 H22 F2 N4 O3
Formal charge:	0
Formula weight:	416.421 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
OpenEye OEToolkits	2.0.7	6-[bis(fluoranyl)methyl]-~{N}-[7-ethoxy-2-[[(3~{S})-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)c1cccc(n1)C(=O)Nc1cn2cc(nc2cc1OCC)CC1CCOC1
InChI	InChI	1.06	InChI=1S/C21H22F2N4O3/c1-2-30-18-9-19-24-14(8-13-6-7-29-12-13)10-27(19)11-17(18)26-21(28)16-5-3-4-15(25-16)20(22)23/h3-5,9-11,13,20H,2,6-8,12H2,1H3,(H,26,28)/t13-/m0/s1
InChIKey	InChI	1.06	OJFHALJCAIWBCB-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1cc2nc(C[C@H]3CCOC3)cn2cc1NC(=O)c4cccc(n4)C(F)F
SMILES	CACTVS	3.385	CCOc1cc2nc(C[CH]3CCOC3)cn2cc1NC(=O)c4cccc(n4)C(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOc1cc2nc(cn2cc1NC(=O)c3cccc(n3)C(F)F)C[C@H]4CCOC4
SMILES	OpenEye OEToolkits	2.0.7	CCOc1cc2nc(cn2cc1NC(=O)c3cccc(n3)C(F)F)CC4CCOC4

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