13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C42H46N6O3 — CID 16667167

About 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 16667167) has the molecular formula C42H46N6O3 and a molecular weight of 682.87 g/mol. Its IUPAC name is 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

• Compound Name: 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
• PubChem CID: 16667167
• Molecular Formula: C42H46N6O3
• Molecular Weight: 682.87 g/mol
• Exact Mass: 682.36
• IUPAC Name: 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
• SMILES: O=C(NCc1cn2ccccc2n1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3
• InChI: InChI=1S/C42H46N6O3/c49-41(43-26-33-28-47-17-7-6-12-38(47)44-33)31-13-14-36-37(25-31)48-27-32(42(50)46-18-15-34(16-19-46)45-20-22-51-23-21-45)24-30-10-4-5-11-35(30)40(48)39(36)29-8-2-1-3-9-29/h4-7,10-14,17,24-25,28-29,34H,1-3,8-9,15-16,18-23,26-27H2,(H,43,49)
• InChIKey: BDMOJXBZYCTEJW-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 84.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.87
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The IUPAC name of 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 16667167) is 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

What is the SMILES notation for 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The canonical SMILES for 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is O=C(NCc1cn2ccccc2n1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3.

What is the InChIKey of 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

The InChIKey is BDMOJXBZYCTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N6O3/c49-41(43-26-33-28-47-17-7-6-12-38(47)44-33)31-13-14-36-37(25-31)48-27-32(42(50)46-18-15-34(16-19-46)45-20-22-51-23-21-45)24-30-10-4-5-11-35(30)40(48)39(36)29-8-2-1-3-9-29/h4-7,10-14,17,24-25,28-29,34H,1-3,8-9,15-16,18-23,26-27H2,(H,43,49).

What are the key properties of 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?

13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 682.87 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 16667167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).