3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine

C29H35N5O2S — CID 169154389

IUPAC3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-c2ccc(N3CCN(CC(C)C)CC3)cc2)nc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C
InChIInChI=1S/C29H35N5O2S/c1-20(2)19-33-14-16-34(17-15-33)24-10-6-22(7-11-24)26-18-21(3)27-29(30-26)32(4)28(31-27)23-8-12-25(13-9-23)37(5,35)36/h6-13,18,20H,14-17,19H2,1-5H3
InChIKeyDCCPKYWTRLMXPF-UHFFFAOYSA-N
MW517.70 g/mol
LogP4.79
Rot. Bonds6

About 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine

3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine (PubChem CID 169154389) has the molecular formula C29H35N5O2S and a molecular weight of 517.70 g/mol. Its IUPAC name is 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
PubChem CID169154389
Molecular FormulaC29H35N5O2S
Molecular Weight517.70 g/mol
Exact Mass517.25
IUPAC Name3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-c2ccc(N3CCN(CC(C)C)CC3)cc2)nc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C
InChIInChI=1S/C29H35N5O2S/c1-20(2)19-33-14-16-34(17-15-33)24-10-6-22(7-11-24)26-18-21(3)27-29(30-26)32(4)28(31-27)23-8-12-25(13-9-23)37(5,35)36/h6-13,18,20H,14-17,19H2,1-5H3
InChIKeyDCCPKYWTRLMXPF-UHFFFAOYSA-N
XLogP4.79
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.70
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[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

Related Compounds

1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine
CID 169154282
6-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,4-dimethyl-2-(4-methylsulfonylphenyl)benzimidazole
CID 162735933
1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 169154288
1-[4-[3,7-dimethyl-2-(4-methylsulfonylphenyl)benzimidazol-5-yl]phenyl]-N-ethyl-N-methylpiperidin-4-amine
CID 162736183
4-[1-[[4-[3-cyclopropyl-7-methyl-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-5-yl]phenyl]methyl]piperidin-4-yl]morpholine
CID 169154393
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677
1-methyl-2-(4-methylsulfonylphenyl)-4-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566175
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
1,7-dimethyl-6-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)benzimidazole
CID 162736164
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
2-[4-(2-methylpropyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
CID 110897310
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine (CID 169154389) is 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine is Cc1cc(-c2ccc(N3CCN(CC(C)C)CC3)cc2)nc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C.
What is the InChIKey of 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is DCCPKYWTRLMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2S/c1-20(2)19-33-14-16-34(17-15-33)24-10-6-22(7-11-24)26-18-21(3)27-29(30-26)32(4)28(31-27)23-8-12-25(13-9-23)37(5,35)36/h6-13,18,20H,14-17,19H2,1-5H3.
What are the key properties of 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 517.70 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 169154389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).