(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H31N3O5 — CID 92739591

About (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92739591) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 92739591
• Molecular Formula: C26H31N3O5
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.23
• IUPAC Name: (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C1=O
• InChI: InChI=1S/C26H31N3O5/c1-26(25(31)27-17-8-5-4-6-9-17)16-28-20(24(30)29(26)15-18-10-7-13-34-18)14-19-21(32-2)11-12-22(33-3)23(19)28/h7,10-14,17H,4-6,8-9,15-16H2,1-3H3,(H,27,31)/t26-/m0/s1
• InChIKey: UQTIIKMFETXIDP-SANMLTNESA-N
• XLogP: 4.12
• TPSA: 85.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92739591) is (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C1=O.

What is the InChIKey of (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is UQTIIKMFETXIDP-SANMLTNESA-N. The full InChI is InChI=1S/C26H31N3O5/c1-26(25(31)27-17-8-5-4-6-9-17)16-28-20(24(30)29(26)15-18-10-7-13-34-18)14-19-21(32-2)11-12-22(33-3)23(19)28/h7,10-14,17H,4-6,8-9,15-16H2,1-3H3,(H,27,31)/t26-/m0/s1.

What are the key properties of (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92739591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).