1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

C19H14FN3O — CID 140931454

IUPAC1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc(F)c1
InChIInChI=1S/C19H14FN3O/c20-17-3-1-2-13(8-17)11-23-12-16(6-7-19(23)24)14-4-5-15-10-21-22-18(15)9-14/h1-10,12H,11H2,(H,21,22)
InChIKeyVCSAIKGXBLLWTR-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.58
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (PubChem CID 140931454) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
PubChem CID140931454
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc(F)c1
InChIInChI=1S/C19H14FN3O/c20-17-3-1-2-13(8-17)11-23-12-16(6-7-19(23)24)14-4-5-15-10-21-22-18(15)9-14/h1-10,12H,11H2,(H,21,22)
InChIKeyVCSAIKGXBLLWTR-UHFFFAOYSA-N
XLogP3.58
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (CID 140931454) is 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The InChIKey is VCSAIKGXBLLWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-17-3-1-2-13(8-17)11-23-12-16(6-7-19(23)24)14-4-5-15-10-21-22-18(15)9-14/h1-10,12H,11H2,(H,21,22).
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one has a molecular weight of 319.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 140931454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).