VOJ

3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine

Created:	2020-08-31
Last modified:	2021-01-13

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1 entries where VOJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	22

2D diagram of VOJ

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Chemical Component Summary
Name	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	3-[(1~{S})-1-(5-fluoranyl-2-pyrazol-1-yl-phenyl)ethoxy]-5-(3-methyl-1~{H}-pyrazol-4-yl)pyridin-2-amine
Formula	C₂₀ H₁₉ F N₆ O
Molecular Weight	378.403
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N
SMILES	CACTVS	3.385	C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc3n4cccn4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c[nH]n1)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4cccn4)F
Canonical SMILES	CACTVS	3.385	C[C@H](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc3n4cccn4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F
InChI	InChI	1.03	InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
InChIKey	InChI	1.03	NLKNKFKEIUZQIO-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	155294520

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