(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C24H33N3O4 — CID 92741259

About (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741259) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 92741259
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: CC(C)OCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H33N3O4/c1-17(2)30-15-7-13-27-22(28)20-12-11-19(21-10-6-14-31-21)26(20)16-24(27,3)23(29)25-18-8-4-5-9-18/h6,10-12,14,17-18H,4-5,7-9,13,15-16H2,1-3H3,(H,25,29)/t24-/m0/s1
• InChIKey: AFMCILLTVJQBPP-DEOSSOPVSA-N
• XLogP: 3.84
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741259) is (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC(C)OCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1.

What is the InChIKey of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is AFMCILLTVJQBPP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-17(2)30-15-7-13-27-22(28)20-12-11-19(21-10-6-14-31-21)26(20)16-24(27,3)23(29)25-18-8-4-5-9-18/h6,10-12,14,17-18H,4-5,7-9,13,15-16H2,1-3H3,(H,25,29)/t24-/m0/s1.

What are the key properties of (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).