N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide

C30H30N6O3S — CID 170417155

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide (PubChem CID 170417155) has the molecular formula C30H30N6O3S and a molecular weight of 554.68 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide
• PubChem CID: 170417155
• Molecular Formula: C30H30N6O3S
• Molecular Weight: 554.68 g/mol
• Exact Mass: 554.21
• IUPAC Name: N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1cccc2c1ccn2-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
• InChI: InChI=1S/C30H30N6O3S/c1-6-27-32-28-18(2)16-19(3)31-30(28)36(27)17-22-10-9-12-24-23(22)14-15-35(24)25-11-7-8-13-26(25)40(37,38)34-29-20(4)21(5)39-33-29/h7-16H,6,17H2,1-5H3,(H,33,34)
• InChIKey: AGVCOXDXKVQCTN-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.68
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide?

The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide (CID 170417155) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide.

What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide?

The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide is CCc1nc2c(C)cc(C)nc2n1Cc1cccc2c1ccn2-c1ccccc1S(=O)(=O)Nc1noc(C)c1C.

What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide?

The InChIKey is AGVCOXDXKVQCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3S/c1-6-27-32-28-18(2)16-19(3)31-30(28)36(27)17-22-10-9-12-24-23(22)14-15-35(24)25-11-7-8-13-26(25)40(37,38)34-29-20(4)21(5)39-33-29/h7-16H,6,17H2,1-5H3,(H,33,34).

What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide?

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide has a molecular weight of 554.68 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]benzenesulfonamide is sourced from PubChem (CID 170417155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).