N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H32N4O3 — CID 22523314

About N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 22523314) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 22523314
• Molecular Formula: C27H32N4O3
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.25
• IUPAC Name: N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: COc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCCC1)N(Cc1ccccn1)C3=O
• InChI: InChI=1S/C27H32N4O3/c1-27(26(33)29-20-9-5-3-4-6-10-20)18-30-23-16-22(34-2)13-12-19(23)15-24(30)25(32)31(27)17-21-11-7-8-14-28-21/h7-8,11-16,20H,3-6,9-10,17-18H2,1-2H3,(H,29,33)
• InChIKey: ZCFIYBGRKTULGC-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 22523314) is N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2cc3n(c2c1)CC(C)(C(=O)NC1CCCCCC1)N(Cc1ccccn1)C3=O.

What is the InChIKey of N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is ZCFIYBGRKTULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-27(26(33)29-20-9-5-3-4-6-10-20)18-30-23-16-22(34-2)13-12-19(23)15-24(30)25(32)31(27)17-21-11-7-8-14-28-21/h7-8,11-16,20H,3-6,9-10,17-18H2,1-2H3,(H,29,33).

What are the key properties of N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 22523314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).