3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine

C22H28ClN5 — CID 126720395

IUPAC3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCCC(CC)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H28ClN5/c1-3-16(4-2)21-26-20-19(27-13-11-24-12-14-27)9-10-25-22(20)28(21)15-17-7-5-6-8-18(17)23/h5-10,16,24H,3-4,11-15H2,1-2H3
InChIKeyJOKUXKLMFRDAOD-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.45
Rot. Bonds6

About 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine

3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 126720395) has the molecular formula C22H28ClN5 and a molecular weight of 397.95 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID126720395
Molecular FormulaC22H28ClN5
Molecular Weight397.95 g/mol
Exact Mass397.20
IUPAC Name3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCCC(CC)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H28ClN5/c1-3-16(4-2)21-26-20-19(27-13-11-24-12-14-27)9-10-25-22(20)28(21)15-17-7-5-6-8-18(17)23/h5-10,16,24H,3-4,11-15H2,1-2H3
InChIKeyJOKUXKLMFRDAOD-UHFFFAOYSA-N
XLogP4.45
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-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-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine (CID 126720395) is 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine is CCC(CC)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is JOKUXKLMFRDAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5/c1-3-16(4-2)21-26-20-19(27-13-11-24-12-14-27)9-10-25-22(20)28(21)15-17-7-5-6-8-18(17)23/h5-10,16,24H,3-4,11-15H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 397.95 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).