4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile

C15H19ClN4 — CID 82152005

IUPAC4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
SMILESCCC(CC)c1nc2cc(Cl)cnc2n1CCCC#N
InChIInChI=1S/C15H19ClN4/c1-3-11(4-2)14-19-13-9-12(16)10-18-15(13)20(14)8-6-5-7-17/h9-11H,3-6,8H2,1-2H3
InChIKeyXYJVNVWSOXKQQK-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.29
Rot. Bonds6

About 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile

4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile (PubChem CID 82152005) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile.

Molecular Properties

Compound Name4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
PubChem CID82152005
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
SMILESCCC(CC)c1nc2cc(Cl)cnc2n1CCCC#N
InChIInChI=1S/C15H19ClN4/c1-3-11(4-2)14-19-13-9-12(16)10-18-15(13)20(14)8-6-5-7-17/h9-11H,3-6,8H2,1-2H3
InChIKeyXYJVNVWSOXKQQK-UHFFFAOYSA-N
XLogP4.29
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82143553
4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061624
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
6-chloro-2-(1-chloroethyl)-3-(3-ethylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 114248555
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 82151993
6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005185
N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
CID 106004677
3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745997
6-chloro-2-(diethoxymethyl)-3-methylimidazo[4,5-b]pyridine
CID 141490565
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420154
2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114812

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile?
The IUPAC name of 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile (CID 82152005) is 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile.
What is the SMILES notation for 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile?
The canonical SMILES for 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile is CCC(CC)c1nc2cc(Cl)cnc2n1CCCC#N.
What is the InChIKey of 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile?
The InChIKey is XYJVNVWSOXKQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-11(4-2)14-19-13-9-12(16)10-18-15(13)20(14)8-6-5-7-17/h9-11H,3-6,8H2,1-2H3.
What are the key properties of 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile?
4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile has a molecular weight of 290.80 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile is sourced from PubChem (CID 82152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).