3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine

C16H24N4 — CID 117166348

IUPAC3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCCN1CCC(Cn2c(C(C)C)nc3cccnc32)C1
InChIInChI=1S/C16H24N4/c1-4-19-9-7-13(10-19)11-20-15(12(2)3)18-14-6-5-8-17-16(14)20/h5-6,8,12-13H,4,7,9-11H2,1-3H3
InChIKeyYKTNWCXLDMXJHJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.90
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine

3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 117166348) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID117166348
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCCN1CCC(Cn2c(C(C)C)nc3cccnc32)C1
InChIInChI=1S/C16H24N4/c1-4-19-9-7-13(10-19)11-20-15(12(2)3)18-14-6-5-8-17-16(14)20/h5-6,8,12-13H,4,7,9-11H2,1-3H3
InChIKeyYKTNWCXLDMXJHJ-UHFFFAOYSA-N
XLogP2.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine 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-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine (CID 117166348) is 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine is CCN1CCC(Cn2c(C(C)C)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is YKTNWCXLDMXJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-19-9-7-13(10-19)11-20-15(12(2)3)18-14-6-5-8-17-16(14)20/h5-6,8,12-13H,4,7,9-11H2,1-3H3.
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine?
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 272.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117166348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).