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Summary

Name:	2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Formula:	C16 H12 N4
Formal charge:	0
Formula weight:	260.293 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
OpenEye OEToolkits	2.0.7	2-phenyl-5-(1~{H}-pyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(cc1)c2nc4c(c2)cc(c3cnnc3)cn4
InChI	InChI	1.03	InChI=1S/C16H12N4/c1-2-4-11(5-3-1)15-7-12-6-13(8-17-16(12)20-15)14-9-18-19-10-14/h1-10H,(H,17,20)(H,18,19)
InChIKey	InChI	1.03	NSAWQZXLJIAJFT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[nH]1cc(cn1)c2cnc3[nH]c(cc3c2)c4ccccc4
SMILES	CACTVS	3.385	[nH]1cc(cn1)c2cnc3[nH]c(cc3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4

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