13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C41H49N7O6S — CID 25211855

About 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 25211855) has the molecular formula C41H49N7O6S and a molecular weight of 767.95 g/mol. Its IUPAC name is 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

• Compound Name: 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
• PubChem CID: 25211855
• Molecular Formula: C41H49N7O6S
• Molecular Weight: 767.95 g/mol
• Exact Mass: 767.35
• IUPAC Name: 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
• SMILES: CCc1nnc(CN(C(=O)c2cnn(C)c2C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n3C2)C(C)C)o1
• InChI: InChI=1S/C41H49N7O6S/c1-8-35-43-44-36(54-35)23-47(24(2)3)41(50)33-21-42-46(6)38(33)29-18-28-19-30(53-7)15-17-31(28)39-37(26-12-10-9-11-13-26)32-16-14-27(20-34(32)48(39)22-29)40(49)45-55(51,52)25(4)5/h14-21,24-26H,8-13,22-23H2,1-7H3,(H,45,49)
• InChIKey: QIIGWKKJOMCGHC-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 154.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	767.95
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The IUPAC name of 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 25211855) is 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

What is the SMILES notation for 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The canonical SMILES for 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is CCc1nnc(CN(C(=O)c2cnn(C)c2C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n3C2)C(C)C)o1.

What is the InChIKey of 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The InChIKey is QIIGWKKJOMCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N7O6S/c1-8-35-43-44-36(54-35)23-47(24(2)3)41(50)33-21-42-46(6)38(33)29-18-28-19-30(53-7)15-17-31(28)39-37(26-12-10-9-11-13-26)32-16-14-27(20-34(32)48(39)22-29)40(49)45-55(51,52)25(4)5/h14-21,24-26H,8-13,22-23H2,1-7H3,(H,45,49).

What are the key properties of 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 767.95 g/mol, XLogP of 7.12, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-6-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylcarbamoyl]-1-methylpyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 25211855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).