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Summary Geometry Related PDB entries

A1DJF

Summary

Name:	~{N}-[5-(5-cyclopropyl-4~{H}-1,2,4-triazol-3-yl)-4-fluoranyl-2-methyl-phenyl]-6-fluoranyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:	C20 H16 F2 N6 O
Formal charge:	0
Formula weight:	394.377 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(8R)-N-[(5M)-5-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-fluoro-2-methylphenyl]-6-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-[5-(5-cyclopropyl-4~{H}-1,2,4-triazol-3-yl)-4-fluoranyl-2-methyl-phenyl]-6-fluoranyl-pyrazolo[1,5-a]pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Fc1cc(C)c(cc1c1nnc([NH]1)C1CC1)NC(=O)c1cnn2cc(F)ccc12
InChI	InChI	1.06	InChI=1S/C20H16F2N6O/c1-10-6-15(22)13(19-25-18(26-27-19)11-2-3-11)7-16(10)24-20(29)14-8-23-28-9-12(21)4-5-17(14)28/h4-9,11H,2-3H2,1H3,(H,24,29)(H,25,26,27)
InChIKey	InChI	1.06	IBYIEMJBGNBMGU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(F)c(cc1NC(=O)c2cnn3cc(F)ccc23)c4[nH]c(nn4)C5CC5
SMILES	CACTVS	3.385	Cc1cc(F)c(cc1NC(=O)c2cnn3cc(F)ccc23)c4[nH]c(nn4)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cc(c(cc1NC(=O)c2cnn3c2ccc(c3)F)c4[nH]c(nn4)C5CC5)F
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(c(cc1NC(=O)c2cnn3c2ccc(c3)F)c4[nH]c(nn4)C5CC5)F

258009

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