3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide

C21H24N4O3 — CID 139005782

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc3ncccc3[nH]2)c(OC2CCOC2)c1
InChIInChI=1S/C21H24N4O3/c1-14-4-5-15(18(11-14)28-16-8-10-27-13-16)12-23-20(26)7-6-19-24-17-3-2-9-22-21(17)25-19/h2-5,9,11,16H,6-8,10,12-13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyHKNWJIKQAJFRGD-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.68
Rot. Bonds7

About 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide

3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide (PubChem CID 139005782) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
PubChem CID139005782
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc3ncccc3[nH]2)c(OC2CCOC2)c1
InChIInChI=1S/C21H24N4O3/c1-14-4-5-15(18(11-14)28-16-8-10-27-13-16)12-23-20(26)7-6-19-24-17-3-2-9-22-21(17)25-19/h2-5,9,11,16H,6-8,10,12-13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyHKNWJIKQAJFRGD-UHFFFAOYSA-N
XLogP2.68
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide 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-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide (CID 139005782) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide is Cc1ccc(CNC(=O)CCc2nc3ncccc3[nH]2)c(OC2CCOC2)c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide?
The InChIKey is HKNWJIKQAJFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-4-5-15(18(11-14)28-16-8-10-27-13-16)12-23-20(26)7-6-19-24-17-3-2-9-22-21(17)25-19/h2-5,9,11,16H,6-8,10,12-13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide is sourced from PubChem (CID 139005782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).