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

C19H14ClN3O — CID 129052101

IUPAC1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1Cl
InChIInChI=1S/C19H14ClN3O/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,12H2,(H,21,22)
InChIKeyRCCFIMHYOFIWHJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.09
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (PubChem CID 129052101) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
PubChem CID129052101
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1Cl
InChIInChI=1S/C19H14ClN3O/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,12H2,(H,21,22)
InChIKeyRCCFIMHYOFIWHJ-UHFFFAOYSA-N
XLogP4.09
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 129052025
CID 129052025
CID 4448318
CID 4448318
CID 129052008
CID 129052008
CID 129052048
CID 129052048
CID 129052051
CID 129052051
CID 129052064
CID 129052064
CID 129052068
CID 129052068
CID 129052070
CID 129052070
CID 129052080
CID 129052080
CID 129052096
CID 129052096
CID 129052097
CID 129052097
CID 129052116
CID 129052116

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (CID 129052101) is 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The InChIKey is RCCFIMHYOFIWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/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,12H2,(H,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one has a molecular weight of 335.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 129052101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).