13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C37H41N5O6S — CID 25190183

About 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 25190183) has the molecular formula C37H41N5O6S and a molecular weight of 683.83 g/mol. Its IUPAC name is 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

• Compound Name: 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
• PubChem CID: 25190183
• Molecular Formula: C37H41N5O6S
• Molecular Weight: 683.83 g/mol
• Exact Mass: 683.28
• IUPAC Name: 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
• SMILES: COc1ccc2c(c1)C=C(c1ncccc1C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C37H41N5O6S/c1-40(2)49(45,46)39-36(43)25-11-13-30-32(22-25)42-23-27(34-31(10-7-15-38-34)37(44)41-16-18-48-19-17-41)20-26-21-28(47-3)12-14-29(26)35(42)33(30)24-8-5-4-6-9-24/h7,10-15,20-22,24H,4-6,8-9,16-19,23H2,1-3H3,(H,39,43)
• InChIKey: ZPNKJWIJIXVZOW-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 123.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.83
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The IUPAC name of 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 25190183) is 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

What is the SMILES notation for 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The canonical SMILES for 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is COc1ccc2c(c1)C=C(c1ncccc1C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.

What is the InChIKey of 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The InChIKey is ZPNKJWIJIXVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O6S/c1-40(2)49(45,46)39-36(43)25-11-13-30-32(22-25)42-23-27(34-31(10-7-15-38-34)37(44)41-16-18-48-19-17-41)20-26-21-28(47-3)12-14-29(26)35(42)33(30)24-8-5-4-6-9-24/h7,10-15,20-22,24H,4-6,8-9,16-19,23H2,1-3H3,(H,39,43).

What are the key properties of 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 683.83 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[3-(morpholine-4-carbonyl)-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 25190183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).