2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

C22H15N5O2 — CID 155295440

IUPAC2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESC=C1C=C(c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C#N)c2)C=NC1=O
InChIInChI=1S/C22H15N5O2/c1-14-7-16(10-24-22(14)29)18-8-21(28)26(2)13-19(18)17-11-25-27(12-17)20-6-4-3-5-15(20)9-23/h3-8,10-13H,1H2,2H3
InChIKeyJPDJDHGGNOLCTB-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.66
Rot. Bonds3

About 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 155295440) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID155295440
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESC=C1C=C(c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C#N)c2)C=NC1=O
InChIInChI=1S/C22H15N5O2/c1-14-7-16(10-24-22(14)29)18-8-21(28)26(2)13-19(18)17-11-25-27(12-17)20-6-4-3-5-15(20)9-23/h3-8,10-13H,1H2,2H3
InChIKeyJPDJDHGGNOLCTB-UHFFFAOYSA-N
XLogP2.66
TPSA93.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 155295440) is 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is C=C1C=C(c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C#N)c2)C=NC1=O.
What is the InChIKey of 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is JPDJDHGGNOLCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c1-14-7-16(10-24-22(14)29)18-8-21(28)26(2)13-19(18)17-11-25-27(12-17)20-6-4-3-5-15(20)9-23/h3-8,10-13H,1H2,2H3.
What are the key properties of 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 381.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-methyl-4-(5-methylidene-6-oxo-3-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 155295440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).