2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine

C23H30N4O2S — CID 10574451

IUPAC2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1CC1CCN(S(=O)(=O)CC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2S/c1-18-25-21-15-24-12-9-22(21)27(18)16-19-10-13-26(14-11-19)30(28,29)17-23(2,3)20-7-5-4-6-8-20/h4-9,12,15,19H,10-11,13-14,16-17H2,1-3H3
InChIKeyBTEBWMLZUMQPRC-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.76
Rot. Bonds6

About 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine

2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine (PubChem CID 10574451) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
PubChem CID10574451
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1CC1CCN(S(=O)(=O)CC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2S/c1-18-25-21-15-24-12-9-22(21)27(18)16-19-10-13-26(14-11-19)30(28,29)17-23(2,3)20-7-5-4-6-8-20/h4-9,12,15,19H,10-11,13-14,16-17H2,1-3H3
InChIKeyBTEBWMLZUMQPRC-UHFFFAOYSA-N
XLogP3.76
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]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-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine (CID 10574451) is 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine is Cc1nc2cnccc2n1CC1CCN(S(=O)(=O)CC(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is BTEBWMLZUMQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-18-25-21-15-24-12-9-22(21)27(18)16-19-10-13-26(14-11-19)30(28,29)17-23(2,3)20-7-5-4-6-8-20/h4-9,12,15,19H,10-11,13-14,16-17H2,1-3H3.
What are the key properties of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 426.59 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10574451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).