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

C20H17N3O — CID 162648671

IUPAC5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1CCc1ccccc1
InChIInChI=1S/C20H17N3O/c24-20-9-8-18(16-6-7-17-13-21-22-19(17)12-16)14-23(20)11-10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,21,22)
InChIKeyVUSUUUQONYSYHL-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.63
Rot. Bonds4

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

5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one (PubChem CID 162648671) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one
PubChem CID162648671
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1CCc1ccccc1
InChIInChI=1S/C20H17N3O/c24-20-9-8-18(16-6-7-17-13-21-22-19(17)12-16)14-23(20)11-10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,21,22)
InChIKeyVUSUUUQONYSYHL-UHFFFAOYSA-N
XLogP3.63
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.63
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-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one (CID 162648671) is 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1CCc1ccccc1.
What is the InChIKey of 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is VUSUUUQONYSYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20-9-8-18(16-6-7-17-13-21-22-19(17)12-16)14-23(20)11-10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,21,22).
What are the key properties of 5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one?
5-(1H-indazol-6-yl)-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.63, 4 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-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 162648671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).