[3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone

C20H14N2O2 — CID 15604303

IUPAC[3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(O)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H14N2O2/c23-16-10-14(17-4-1-5-19-18(17)6-8-22-19)9-15(11-16)20(24)13-3-2-7-21-12-13/h1-12,22-23H
InChIKeyKCIVNSHCPGXDSS-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.17
Rot. Bonds3

About [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone

[3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone (PubChem CID 15604303) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone
PubChem CID15604303
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name[3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(O)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H14N2O2/c23-16-10-14(17-4-1-5-19-18(17)6-8-22-19)9-15(11-16)20(24)13-3-2-7-21-12-13/h1-12,22-23H
InChIKeyKCIVNSHCPGXDSS-UHFFFAOYSA-N
XLogP4.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone (CID 15604303) is [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(O)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is KCIVNSHCPGXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-16-10-14(17-4-1-5-19-18(17)6-8-22-19)9-15(11-16)20(24)13-3-2-7-21-12-13/h1-12,22-23H.
What are the key properties of [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone?
[3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone has a molecular weight of 314.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-5-(1H-indol-4-yl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 15604303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).