2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

C32H38N6O4S — CID 170413816

About 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 170413816) has the molecular formula C32H38N6O4S and a molecular weight of 602.76 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
• PubChem CID: 170413816
• Molecular Formula: C32H38N6O4S
• Molecular Weight: 602.76 g/mol
• Exact Mass: 602.27
• IUPAC Name: 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
• SMILES: CCCc1nc2c(N(C)C)nccc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
• InChI: InChI=1S/C32H38N6O4S/c1-7-11-29-34-30-27(16-17-33-32(30)37(5)6)38(29)19-23-14-15-25(24(18-23)20-41-8-2)26-12-9-10-13-28(26)43(39,40)36-31-21(3)22(4)42-35-31/h9-10,12-18H,7-8,11,19-20H2,1-6H3,(H,35,36)
• InChIKey: NWCXVFWKQGWYQU-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.76
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

The IUPAC name of 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 170413816) is 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.

What is the SMILES notation for 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

The canonical SMILES for 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is CCCc1nc2c(N(C)C)nccc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1.

What is the InChIKey of 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

The InChIKey is NWCXVFWKQGWYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O4S/c1-7-11-29-34-30-27(16-17-33-32(30)37(5)6)38(29)19-23-14-15-25(24(18-23)20-41-8-2)26-12-9-10-13-28(26)43(39,40)36-31-21(3)22(4)42-35-31/h9-10,12-18H,7-8,11,19-20H2,1-6H3,(H,35,36).

What are the key properties of 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 602.76 g/mol, XLogP of 6.11, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-(dimethylamino)-2-propylimidazo[4,5-c]pyridin-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 170413816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).