[4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate

C34H43N5O5 — CID 66562098

About [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate

[4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 66562098) has the molecular formula C34H43N5O5 and a molecular weight of 601.75 g/mol. Its IUPAC name is [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

• Compound Name: [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate
• PubChem CID: 66562098
• Molecular Formula: C34H43N5O5
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.33
• IUPAC Name: [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate
• SMILES: CC1(C)CC(=O)n2c(c(-c3ccc(C(N)=O)c(NC4CCC(OC(=O)NCCN5CCOCC5)CC4)c3)c3ccccc32)C1
• InChI: InChI=1S/C34H43N5O5/c1-34(2)20-29-31(26-5-3-4-6-28(26)39(29)30(40)21-34)22-7-12-25(32(35)41)27(19-22)37-23-8-10-24(11-9-23)44-33(42)36-13-14-38-15-17-43-18-16-38/h3-7,12,19,23-24,37H,8-11,13-18,20-21H2,1-2H3,(H2,35,41)(H,36,42)
• InChIKey: RSERRAFEDGPESG-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate?

The IUPAC name of [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate (CID 66562098) is [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate.

What is the SMILES notation for [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate?

The canonical SMILES for [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate is CC1(C)CC(=O)n2c(c(-c3ccc(C(N)=O)c(NC4CCC(OC(=O)NCCN5CCOCC5)CC4)c3)c3ccccc32)C1.

What is the InChIKey of [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate?

The InChIKey is RSERRAFEDGPESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O5/c1-34(2)20-29-31(26-5-3-4-6-28(26)39(29)30(40)21-34)22-7-12-25(32(35)41)27(19-22)37-23-8-10-24(11-9-23)44-33(42)36-13-14-38-15-17-43-18-16-38/h3-7,12,19,23-24,37H,8-11,13-18,20-21H2,1-2H3,(H2,35,41)(H,36,42).

What are the key properties of [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate?

[4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 601.75 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-carbamoyl-5-(8,8-dimethyl-6-oxo-7,9-dihydropyrido[1,2-a]indol-10-yl)anilino]cyclohexyl] N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 66562098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).