2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone

C22H18N2O2 — CID 118078623

IUPAC2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone
SMILESCc1cc2ccncc2n1-c1ccc(C(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-15-13-18-11-12-23-14-20(18)24(15)19-9-7-17(8-10-19)22(26)21(25)16-5-3-2-4-6-16/h2-14,21,25H,1H3
InChIKeyHHZSQDOBBSZZAD-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.25
Rot. Bonds4

About 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone

2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone (PubChem CID 118078623) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone
PubChem CID118078623
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone
SMILESCc1cc2ccncc2n1-c1ccc(C(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-15-13-18-11-12-23-14-20(18)24(15)19-9-7-17(8-10-19)22(26)21(25)16-5-3-2-4-6-16/h2-14,21,25H,1H3
InChIKeyHHZSQDOBBSZZAD-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone 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 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone (CID 118078623) is 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone is Cc1cc2ccncc2n1-c1ccc(C(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone?
The InChIKey is HHZSQDOBBSZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-13-18-11-12-23-14-20(18)24(15)19-9-7-17(8-10-19)22(26)21(25)16-5-3-2-4-6-16/h2-14,21,25H,1H3.
What are the key properties of 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone?
2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone has a molecular weight of 342.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone is sourced from PubChem (CID 118078623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).