2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C24H33N3O3 — CID 22523223

About 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 22523223) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 22523223
• Molecular Formula: C24H33N3O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.25
• IUPAC Name: 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: CCC(C)N1C(=O)c2cc3ccc(OC)cc3n2CC1(C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C24H33N3O3/c1-5-16(2)27-22(28)21-13-17-11-12-19(30-4)14-20(17)26(21)15-24(27,3)23(29)25-18-9-7-6-8-10-18/h11-14,16,18H,5-10,15H2,1-4H3,(H,25,29)
• InChIKey: UHNDSWGSOPPRFH-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 22523223) is 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCC(C)N1C(=O)c2cc3ccc(OC)cc3n2CC1(C)C(=O)NC1CCCCC1.

What is the InChIKey of 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is UHNDSWGSOPPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-16(2)27-22(28)21-13-17-11-12-19(30-4)14-20(17)26(21)15-24(27,3)23(29)25-18-9-7-6-8-10-18/h11-14,16,18H,5-10,15H2,1-4H3,(H,25,29).

What are the key properties of 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 22523223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).