2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

C24H19FN4O2 — CID 135355402

IUPAC2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCOc1cc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(F)c3C#N)c2)ccc1C
InChIInChI=1S/C24H19FN4O2/c1-15-7-8-16(9-23(15)31-3)18-10-24(30)28(2)14-20(18)17-12-27-29(13-17)22-6-4-5-21(25)19(22)11-26/h4-10,12-14H,1-3H3
InChIKeyGFUXMCALQCIMOP-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.23
Rot. Bonds4

About 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355402) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355402
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCOc1cc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(F)c3C#N)c2)ccc1C
InChIInChI=1S/C24H19FN4O2/c1-15-7-8-16(9-23(15)31-3)18-10-24(30)28(2)14-20(18)17-12-27-29(13-17)22-6-4-5-21(25)19(22)11-26/h4-10,12-14H,1-3H3
InChIKeyGFUXMCALQCIMOP-UHFFFAOYSA-N
XLogP4.23
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355402) is 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is COc1cc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(F)c3C#N)c2)ccc1C.
What is the InChIKey of 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is GFUXMCALQCIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-15-7-8-16(9-23(15)31-3)18-10-24(30)28(2)14-20(18)17-12-27-29(13-17)22-6-4-5-21(25)19(22)11-26/h4-10,12-14H,1-3H3.
What are the key properties of 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 414.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[4-(3-methoxy-4-methylphenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).