1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine

C15H16N4 — CID 23454714

IUPAC1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCCCCn1cnc2ncc(-c3ccncc3)cc21
InChIInChI=1S/C15H16N4/c1-2-3-8-19-11-18-15-14(19)9-13(10-17-15)12-4-6-16-7-5-12/h4-7,9-11H,2-3,8H2,1H3
InChIKeyHMTWZJMNNIVKNS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.29
Rot. Bonds4

About 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine

1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 23454714) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID23454714
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCCCCn1cnc2ncc(-c3ccncc3)cc21
InChIInChI=1S/C15H16N4/c1-2-3-8-19-11-18-15-14(19)9-13(10-17-15)12-4-6-16-7-5-12/h4-7,9-11H,2-3,8H2,1H3
InChIKeyHMTWZJMNNIVKNS-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-6-pyridin-4-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 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine (CID 23454714) is 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine is CCCCn1cnc2ncc(-c3ccncc3)cc21.
What is the InChIKey of 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is HMTWZJMNNIVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-3-8-19-11-18-15-14(19)9-13(10-17-15)12-4-6-16-7-5-12/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine?
1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23454714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).