2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine

C19H23N5 — CID 171336182

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCc1ccc(C)c(N2CCN(c3nc4cccnc4n3C)CC2)c1
InChIInChI=1S/C19H23N5/c1-14-6-7-15(2)17(13-14)23-9-11-24(12-10-23)19-21-16-5-4-8-20-18(16)22(19)3/h4-8,13H,9-12H2,1-3H3
InChIKeyOHPNHMIDEAAHAN-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.91
Rot. Bonds2

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 171336182) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine
PubChem CID171336182
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine
SMILESCc1ccc(C)c(N2CCN(c3nc4cccnc4n3C)CC2)c1
InChIInChI=1S/C19H23N5/c1-14-6-7-15(2)17(13-14)23-9-11-24(12-10-23)19-21-16-5-4-8-20-18(16)22(19)3/h4-8,13H,9-12H2,1-3H3
InChIKeyOHPNHMIDEAAHAN-UHFFFAOYSA-N
XLogP2.91
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[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 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine (CID 171336182) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine is Cc1ccc(C)c(N2CCN(c3nc4cccnc4n3C)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is OHPNHMIDEAAHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-6-7-15(2)17(13-14)23-9-11-24(12-10-23)19-21-16-5-4-8-20-18(16)22(19)3/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 321.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 171336182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).