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Summary

Name:	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H23 N5
Formal charge:	0
Formula weight:	357.452 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H23N5/c1-2-4-16(5-3-1)10-18-13-25-22-21(18)11-17(12-24-22)19-14-26-27(15-19)20-6-8-23-9-7-20/h1-5,11-15,20,23H,6-10H2,(H,24,25)
InChIKey	InChI	1.03	UVTQCOUVBMODTI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3
SMILES	CACTVS	3.385	C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5

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