2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone

C24H24N4O2 — CID 22100408

IUPAC2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone
SMILESCCCCc1nc2cc(-c3ccccn3)c(CO)nc2n1CC(=O)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-2-3-12-23-26-20-14-18(19-11-7-8-13-25-19)21(16-29)27-24(20)28(23)15-22(30)17-9-5-4-6-10-17/h4-11,13-14,29H,2-3,12,15-16H2,1H3
InChIKeyAFUNHDBCIGZFDR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.21
Rot. Bonds8

About 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone

2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone (PubChem CID 22100408) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone
PubChem CID22100408
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone
SMILESCCCCc1nc2cc(-c3ccccn3)c(CO)nc2n1CC(=O)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-2-3-12-23-26-20-14-18(19-11-7-8-13-25-19)21(16-29)27-24(20)28(23)15-22(30)17-9-5-4-6-10-17/h4-11,13-14,29H,2-3,12,15-16H2,1H3
InChIKeyAFUNHDBCIGZFDR-UHFFFAOYSA-N
XLogP4.21
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-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-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone?
The IUPAC name of 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone (CID 22100408) is 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone is CCCCc1nc2cc(-c3ccccn3)c(CO)nc2n1CC(=O)c1ccccc1.
What is the InChIKey of 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone?
The InChIKey is AFUNHDBCIGZFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-3-12-23-26-20-14-18(19-11-7-8-13-25-19)21(16-29)27-24(20)28(23)15-22(30)17-9-5-4-6-10-17/h4-11,13-14,29H,2-3,12,15-16H2,1H3.
What are the key properties of 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone?
2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone has a molecular weight of 400.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-5-(hydroxymethyl)-6-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl]-1-phenylethanone is sourced from PubChem (CID 22100408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).