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Summary Geometry Related PDB entries

3EY

Summary

Name:	8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
Formula:	C19 H19 F N4 O3
Formal charge:	0
Formula weight:	370.378 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
OpenEye OEToolkits	1.9.2	8-[(4-cyclopropyl-2-fluoranyl-phenyl)amino]-N-(2-hydroxyethyloxy)imidazo[1,5-a]pyridine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4
InChI	InChI	1.03	InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)
InChIKey	InChI	1.03	SXXAGUWDTVENNX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4
SMILES	CACTVS	3.385	OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO

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