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

C26H35FN4O3S — CID 71117254

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

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide (PubChem CID 71117254) has the molecular formula C26H35FN4O3S and a molecular weight of 502.66 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]-4-fluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide
• PubChem CID: 71117254
• Molecular Formula: C26H35FN4O3S
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.24
• IUPAC Name: N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide
• SMILES: Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4ccc(F)cc4)C3)nc21
• InChI: InChI=1S/C26H35FN4O3S/c1-25(2,3)16-31-21-12-11-20(28-23(21)30(6)24(31)32)17-13-14-26(4,5)22(15-17)29-35(33,34)19-9-7-18(27)8-10-19/h7-12,17,22,29H,13-16H2,1-6H3
• InChIKey: NTIDRUQTGKTJFC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 85.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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]-4-fluorobenzenesulfonamide?

The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide (CID 71117254) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide.

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]-4-fluorobenzenesulfonamide?

The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NS(=O)(=O)c4ccc(F)cc4)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]-4-fluorobenzenesulfonamide?

The InChIKey is NTIDRUQTGKTJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3S/c1-25(2,3)16-31-21-12-11-20(28-23(21)30(6)24(31)32)17-13-14-26(4,5)22(15-17)29-35(33,34)19-9-7-18(27)8-10-19/h7-12,17,22,29H,13-16H2,1-6H3.

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]-4-fluorobenzenesulfonamide?

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-4-fluorobenzenesulfonamide has a molecular weight of 502.66 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71117254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).