1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one

C20H17N3O — CID 162662123

IUPAC1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one
SMILESCn1ncc2ccc(-c3ccc(=O)n(Cc4ccccc4)c3)cc21
InChIInChI=1S/C20H17N3O/c1-22-19-11-16(7-8-17(19)12-21-22)18-9-10-20(24)23(14-18)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3
InChIKeyNEWKZGLHTPVUBO-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.45
Rot. Bonds3

About 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one

1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one (PubChem CID 162662123) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one
PubChem CID162662123
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one
SMILESCn1ncc2ccc(-c3ccc(=O)n(Cc4ccccc4)c3)cc21
InChIInChI=1S/C20H17N3O/c1-22-19-11-16(7-8-17(19)12-21-22)18-9-10-20(24)23(14-18)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3
InChIKeyNEWKZGLHTPVUBO-UHFFFAOYSA-N
XLogP3.45
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one (CID 162662123) is 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one is Cn1ncc2ccc(-c3ccc(=O)n(Cc4ccccc4)c3)cc21.
What is the InChIKey of 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one?
The InChIKey is NEWKZGLHTPVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-22-19-11-16(7-8-17(19)12-21-22)18-9-10-20(24)23(14-18)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3.
What are the key properties of 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one?
1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(1-methylindazol-6-yl)pyridin-2-one is sourced from PubChem (CID 162662123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).