JFB

5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

Created:	2019-02-19
Last modified:	2019-09-18

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1 entries where JFB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	21

2D diagram of JFB

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Chemical Component Summary
Name	5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Systematic Name (OpenEye OEToolkits)	5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula	C₁₈ H₁₄ N₆
Molecular Weight	314.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1[nH]nc(c2ccc3ccn(Cc4ccncc4)c3c2)c1C#N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N
Canonical SMILES	CACTVS	3.385	Nc1[nH]nc(c2ccc3ccn(Cc4ccncc4)c3c2)c1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N
InChI	InChI	1.03	InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)14-2-1-13-5-8-24(16(13)9-14)11-12-3-6-21-7-4-12/h1-9H,11H2,(H3,20,22,23)
InChIKey	InChI	1.03	MOYIETQNOXXROV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139030490

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