1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

C19H16N4O — CID 129052046

IUPAC1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESNc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C19H16N4O/c20-17-4-2-1-3-16(17)12-23-11-15(7-8-19(23)24)13-5-6-14-10-21-22-18(14)9-13/h1-11H,12,20H2,(H,21,22)
InChIKeyRPPDKQPXQUFYQV-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (PubChem CID 129052046) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
PubChem CID129052046
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESNc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C19H16N4O/c20-17-4-2-1-3-16(17)12-23-11-15(7-8-19(23)24)13-5-6-14-10-21-22-18(14)9-13/h1-11H,12,20H2,(H,21,22)
InChIKeyRPPDKQPXQUFYQV-UHFFFAOYSA-N
XLogP3.02
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one 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 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (CID 129052046) is 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is Nc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The InChIKey is RPPDKQPXQUFYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-17-4-2-1-3-16(17)12-23-11-15(7-8-19(23)24)13-5-6-14-10-21-22-18(14)9-13/h1-11H,12,20H2,(H,21,22).
What are the key properties of 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 129052046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).