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

C33H37N7O4S — CID 54269026

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

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 54269026) has the molecular formula C33H37N7O4S and a molecular weight of 627.77 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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
• PubChem CID: 54269026
• Molecular Formula: C33H37N7O4S
• Molecular Weight: 627.77 g/mol
• Exact Mass: 627.26
• 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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(CN2CCN(C)C2=O)c1
• InChI: InChI=1S/C33H37N7O4S/c1-7-29-35-30-20(2)16-21(3)34-32(30)40(29)18-24-12-13-26(25(17-24)19-39-15-14-38(6)33(39)41)27-10-8-9-11-28(27)45(42,43)37-31-22(4)23(5)44-36-31/h8-13,16-17H,7,14-15,18-19H2,1-6H3,(H,36,37)
• InChIKey: RIVRFFXBHXYDBL-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 126.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.77
LogP ≤ 5	5.60
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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide (CID 54269026) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(CN2CCN(C)C2=O)c1.

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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide?

The InChIKey is RIVRFFXBHXYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O4S/c1-7-29-35-30-20(2)16-21(3)34-32(30)40(29)18-24-12-13-26(25(17-24)19-39-15-14-38(6)33(39)41)27-10-8-9-11-28(27)45(42,43)37-31-22(4)23(5)44-36-31/h8-13,16-17H,7,14-15,18-19H2,1-6H3,(H,36,37).

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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide?

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 627.77 g/mol, XLogP of 5.60, 9 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]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 54269026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).