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

C29H35N3O4 — CID 92739623

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

(3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92739623) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 92739623
• Molecular Formula: C29H35N3O4
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.26
• IUPAC Name: (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCC2)N([C@H](C)c2ccccc2)C1=O
• InChI: InChI=1S/C29H35N3O4/c1-19(20-11-7-5-8-12-20)32-27(33)23-17-22-24(35-3)15-16-25(36-4)26(22)31(23)18-29(32,2)28(34)30-21-13-9-6-10-14-21/h5,7-8,11-12,15-17,19,21H,6,9-10,13-14,18H2,1-4H3,(H,30,34)/t19-,29+/m1/s1
• InChIKey: HUDMAGBMHCMXAI-XBBWARJSSA-N
• XLogP: 5.08
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92739623) is (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide.

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

The canonical SMILES for (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCC2)N([C@H](C)c2ccccc2)C1=O.

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

The InChIKey is HUDMAGBMHCMXAI-XBBWARJSSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-19(20-11-7-5-8-12-20)32-27(33)23-17-22-24(35-3)15-16-25(36-4)26(22)31(23)18-29(32,2)28(34)30-21-13-9-6-10-14-21/h5,7-8,11-12,15-17,19,21H,6,9-10,13-14,18H2,1-4H3,(H,30,34)/t19-,29+/m1/s1.

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

(3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-2-[(1R)-1-phenylethyl]-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92739623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).