N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide

C25H35N5O3S — CID 71116814

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4cccnc4)C3)nc21
InChIInChI=1S/C25H35N5O3S/c1-24(2,3)16-30-20-10-9-19(27-22(20)29(6)23(30)31)17-11-12-25(4,5)21(14-17)28-34(32,33)18-8-7-13-26-15-18/h7-10,13,15,17,21,28H,11-12,14,16H2,1-6H3
InChIKeyIAEFZWPXYSVILW-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.82
Rot. Bonds5

About N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide (PubChem CID 71116814) has the molecular formula C25H35N5O3S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide
PubChem CID71116814
Molecular FormulaC25H35N5O3S
Molecular Weight485.65 g/mol
Exact Mass485.25
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4cccnc4)C3)nc21
InChIInChI=1S/C25H35N5O3S/c1-24(2,3)16-30-20-10-9-19(27-22(20)29(6)23(30)31)17-11-12-25(4,5)21(14-17)28-34(32,33)18-8-7-13-26-15-18/h7-10,13,15,17,21,28H,11-12,14,16H2,1-6H3
InChIKeyIAEFZWPXYSVILW-UHFFFAOYSA-N
XLogP3.82
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide 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 N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide (CID 71116814) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4cccnc4)C3)nc21.
What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
The InChIKey is IAEFZWPXYSVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S/c1-24(2,3)16-30-20-10-9-19(27-22(20)29(6)23(30)31)17-11-12-25(4,5)21(14-17)28-34(32,33)18-8-7-13-26-15-18/h7-10,13,15,17,21,28H,11-12,14,16H2,1-6H3.
What are the key properties of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide has a molecular weight of 485.65 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71116814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).