5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one

C20H17N3O — CID 129052032

IUPAC5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C20H17N3O/c1-14(15-5-3-2-4-6-15)23-13-18(9-10-20(23)24)16-7-8-17-12-21-22-19(17)11-16/h2-14H,1H3,(H,21,22)
InChIKeyYGALNKARHRESPK-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.00
Rot. Bonds3

About 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one

5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one (PubChem CID 129052032) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one
PubChem CID129052032
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C20H17N3O/c1-14(15-5-3-2-4-6-15)23-13-18(9-10-20(23)24)16-7-8-17-12-21-22-19(17)11-16/h2-14H,1H3,(H,21,22)
InChIKeyYGALNKARHRESPK-UHFFFAOYSA-N
XLogP4.00
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one?
The IUPAC name of 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one (CID 129052032) is 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one.
What is the SMILES notation for 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one?
The canonical SMILES for 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one is CC(c1ccccc1)n1cc(-c2ccc3cn[nH]c3c2)ccc1=O.
What is the InChIKey of 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one?
The InChIKey is YGALNKARHRESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14(15-5-3-2-4-6-15)23-13-18(9-10-20(23)24)16-7-8-17-12-21-22-19(17)11-16/h2-14H,1H3,(H,21,22).
What are the key properties of 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one?
5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-1-(1-phenylethyl)pyridin-2-one is sourced from PubChem (CID 129052032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).