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

C22H15FN4O — CID 135355409

IUPAC2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C22H15FN4O/c1-26-14-20(19(10-22(26)28)15-6-8-18(23)9-7-15)17-12-25-27(13-17)21-5-3-2-4-16(21)11-24/h2-10,12-14H,1H3
InChIKeyFNKFNHSEVMYKOM-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.92
Rot. Bonds3

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

2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355409) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355409
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C22H15FN4O/c1-26-14-20(19(10-22(26)28)15-6-8-18(23)9-7-15)17-12-25-27(13-17)21-5-3-2-4-16(21)11-24/h2-10,12-14H,1H3
InChIKeyFNKFNHSEVMYKOM-UHFFFAOYSA-N
XLogP3.92
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355409) is 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is FNKFNHSEVMYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c1-26-14-20(19(10-22(26)28)15-6-8-18(23)9-7-15)17-12-25-27(13-17)21-5-3-2-4-16(21)11-24/h2-10,12-14H,1H3.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 370.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).