1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide

C133H141N35O15S5 — CID 157179802

About 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide

1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide (PubChem CID 157179802) has the molecular formula C133H141N35O15S5 and a molecular weight of 2630.16 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide.

Molecular Properties

• Compound Name: 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide
• PubChem CID: 157179802
• Molecular Formula: C133H141N35O15S5
• Molecular Weight: 2630.16 g/mol
• Exact Mass: 2627.99
• IUPAC Name: 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(N(C)S(=O)(=O)c3ccn(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(N(C)S(=O)(=O)c3nccn3C)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(NS(=O)(=O)c3ccn(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(NS(=O)(=O)c3nccn3C)cc1)c(=O)n2C.Cc1nc(S(=O)(=O)Nc2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)cn1C
• InChI: InChI=1S/3C27H29N7O3S.2C26H27N7O3S/c1-17(2)21-8-6-7-9-22(21)25-28-14-23-26(30-25)34(27(35)33(23)5)15-19-10-12-20(13-11-19)31-38(36,37)24-16-32(4)18(3)29-24;1-18(2)21-8-6-7-9-22(21)24-29-16-23-25(30-24)34(27(35)32(23)4)17-19-10-12-20(13-11-19)33(5)38(36,37)26-28-14-15-31(26)3;1-18(2)21-8-6-7-9-22(21)25-28-16-23-26(29-25)34(27(35)32(23)4)17-19-10-12-20(13-11-19)33(5)38(36,37)24-14-15-31(3)30-24;1-17(2)20-7-5-6-8-21(20)23-28-15-22-24(29-23)33(26(34)32(22)4)16-18-9-11-19(12-10-18)30-37(35,36)25-27-13-14-31(25)3;1-17(2)20-7-5-6-8-21(20)24-27-15-22-25(28-24)33(26(34)32(22)4)16-18-9-11-19(12-10-18)30-37(35,36)23-13-14-31(3)29-23/h6-14,16-17,31H,15H2,1-5H3;2*6-16,18H,17H2,1-5H3;2*5-15,17,30H,16H2,1-4H3
• InChIKey: AOLAAQHWDAYJJR-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 565.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.16
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide?

The IUPAC name of 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide (CID 157179802) is 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide.

What is the SMILES notation for 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide?

The canonical SMILES for 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide is CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(N(C)S(=O)(=O)c3ccn(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(N(C)S(=O)(=O)c3nccn3C)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(NS(=O)(=O)c3ccn(C)n3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(NS(=O)(=O)c3nccn3C)cc1)c(=O)n2C.Cc1nc(S(=O)(=O)Nc2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)cn1C.

What is the InChIKey of 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide?

The InChIKey is AOLAAQHWDAYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H29N7O3S.2C26H27N7O3S/c1-17(2)21-8-6-7-9-22(21)25-28-14-23-26(30-25)34(27(35)33(23)5)15-19-10-12-20(13-11-19)31-38(36,37)24-16-32(4)18(3)29-24;1-18(2)21-8-6-7-9-22(21)24-29-16-23-25(30-24)34(27(35)32(23)4)17-19-10-12-20(13-11-19)33(5)38(36,37)26-28-14-15-31(26)3;1-18(2)21-8-6-7-9-22(21)25-28-16-23-26(29-25)34(27(35)32(23)4)17-19-10-12-20(13-11-19)33(5)38(36,37)24-14-15-31(3)30-24;1-17(2)20-7-5-6-8-21(20)23-28-15-22-24(29-23)33(26(34)32(22)4)16-18-9-11-19(12-10-18)30-37(35,36)25-27-13-14-31(25)3;1-17(2)20-7-5-6-8-21(20)24-27-15-22-25(28-24)33(26(34)32(22)4)16-18-9-11-19(12-10-18)30-37(35,36)23-13-14-31(3)29-23/h6-14,16-17,31H,15H2,1-5H3;2*6-16,18H,17H2,1-5H3;2*5-15,17,30H,16H2,1-4H3.

What are the key properties of 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide?

1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide has a molecular weight of 2630.16 g/mol, XLogP of 17.87, 35 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 157179802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).