3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide

C43H50N6O5S — CID 69497285

About 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide

3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide (PubChem CID 69497285) has the molecular formula C43H50N6O5S and a molecular weight of 762.98 g/mol. Its IUPAC name is 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide
• PubChem CID: 69497285
• Molecular Formula: C43H50N6O5S
• Molecular Weight: 762.98 g/mol
• Exact Mass: 762.36
• IUPAC Name: 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide
• SMILES: COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CCC(n4cc(-c5ccccc5)cn4)CC3)CC2)cc1
• InChI: InChI=1S/C43H50N6O5S/c1-46(2)55(52,53)45-41(50)33-16-19-37-38(26-33)48(40(32-14-17-36(54-3)18-15-32)39(37)31-12-8-5-9-13-31)29-43(22-23-43)42(51)47-24-20-35(21-25-47)49-28-34(27-44-49)30-10-6-4-7-11-30/h4,6-7,10-11,14-19,26-28,31,35H,5,8-9,12-13,20-25,29H2,1-3H3,(H,45,50)
• InChIKey: JZFDLHRPCDNYIH-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 118.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.98
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide?

The IUPAC name of 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide (CID 69497285) is 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide.

What is the SMILES notation for 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide?

The canonical SMILES for 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide is COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CCC(n4cc(-c5ccccc5)cn4)CC3)CC2)cc1.

What is the InChIKey of 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide?

The InChIKey is JZFDLHRPCDNYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N6O5S/c1-46(2)55(52,53)45-41(50)33-16-19-37-38(26-33)48(40(32-14-17-36(54-3)18-15-32)39(37)31-12-8-5-9-13-31)29-43(22-23-43)42(51)47-24-20-35(21-25-47)49-28-34(27-44-49)30-10-6-4-7-11-30/h4,6-7,10-11,14-19,26-28,31,35H,5,8-9,12-13,20-25,29H2,1-3H3,(H,45,50).

What are the key properties of 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide?

3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide has a molecular weight of 762.98 g/mol, XLogP of 7.41, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-[4-(4-phenylpyrazol-1-yl)piperidine-1-carbonyl]cyclopropyl]methyl]indole-6-carboxamide is sourced from PubChem (CID 69497285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).