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

C28H41N5O3 — CID 22523228

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

N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 22523228) has the molecular formula C28H41N5O3 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 22523228
• Molecular Formula: C28H41N5O3
• Molecular Weight: 495.67 g/mol
• Exact Mass: 495.32
• IUPAC Name: N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: COc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCC1)N(CCCN1CCN(C)CC1)C3=O
• InChI: InChI=1S/C28H41N5O3/c1-28(27(35)29-22-8-5-4-6-9-22)20-32-24-19-23(36-3)11-10-21(24)18-25(32)26(34)33(28)13-7-12-31-16-14-30(2)15-17-31/h10-11,18-19,22H,4-9,12-17,20H2,1-3H3,(H,29,35)
• InChIKey: TZUCPKIBBLECRV-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.67
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 22523228) is N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

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

The canonical SMILES for N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCC1)N(CCCN1CCN(C)CC1)C3=O.

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

The InChIKey is TZUCPKIBBLECRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O3/c1-28(27(35)29-22-8-5-4-6-9-22)20-32-24-19-23(36-3)11-10-21(24)18-25(32)26(34)33(28)13-7-12-31-16-14-30(2)15-17-31/h10-11,18-19,22H,4-9,12-17,20H2,1-3H3,(H,29,35).

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

N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 22523228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).