(3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C24H33N5O3 — CID 92886543

About (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

(3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92886543) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• PubChem CID: 92886543
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• SMILES: C[C@@]1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCN1CCOCC1
• InChI: InChI=1S/C24H33N5O3/c1-24(23(31)25-18-7-2-3-8-18)17-28-20-10-5-4-9-19(20)26-21(28)22(30)29(24)12-6-11-27-13-15-32-16-14-27/h4-5,9-10,18H,2-3,6-8,11-17H2,1H3,(H,25,31)/t24-/m0/s1
• InChIKey: HVELPMJLTURDEA-DEOSSOPVSA-N
• XLogP: 2.03
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The IUPAC name of (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 92886543) is (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

What is the SMILES notation for (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The canonical SMILES for (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is C[C@@]1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCN1CCOCC1.

What is the InChIKey of (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The InChIKey is HVELPMJLTURDEA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-24(23(31)25-18-7-2-3-8-18)17-28-20-10-5-4-9-19(20)26-21(28)22(30)29(24)12-6-11-27-13-15-32-16-14-27/h4-5,9-10,18H,2-3,6-8,11-17H2,1H3,(H,25,31)/t24-/m0/s1.

What are the key properties of (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

(3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92886543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).