XRV

7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Created:	2021-01-08
Last modified:	2021-04-21

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1 entries where XRV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	21

2D diagram of XRV

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Chemical Component Summary
Name	7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Systematic Name (OpenEye OEToolkits)	7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula	C₁₅ H₁₂ F N₇
Molecular Weight	309.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(cc1)n2cc(cn2)Cc3cc(nc4c3nnn4)N)F
SMILES	CACTVS	3.385	Nc1cc(Cc2cnn(c2)c3ccc(F)cc3)c4[nH]nnc4n1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F
Canonical SMILES	CACTVS	3.385	Nc1cc(Cc2cnn(c2)c3ccc(F)cc3)c4[nH]nnc4n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F
InChI	InChI	1.03	InChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22)
InChIKey	InChI	1.03	JHOLDMZREIBHGM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126649391

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