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Summary Geometry Related PDB entries

Q0J

Summary

Name:	2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
Formula:	C19 H14 F N3
Formal charge:	0
Formula weight:	303.333 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
OpenEye OEToolkits	2.0.7	2-(4-fluorophenyl)-6-methyl-3-pyridin-4-yl-pyrazolo[1,5-a]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F
InChI	InChI	1.03	InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3
InChIKey	InChI	1.03	DLJKUEGEDDMTMQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4
SMILES	CACTVS	3.385	Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4

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