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

C24H26N4O3 — CID 46274286

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

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274286) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 46274286
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: CC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccnc1
• InChI: InChI=1S/C24H26N4O3/c1-24(23(30)26-18-7-2-3-8-18)16-27-19(21-9-5-13-31-21)10-11-20(27)22(29)28(24)15-17-6-4-12-25-14-17/h4-6,9-14,18H,2-3,7-8,15-16H2,1H3,(H,26,30)
• InChIKey: HSBOJEODMWUEPM-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274286) is N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccnc1.

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

The InChIKey is HSBOJEODMWUEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(23(30)26-18-7-2-3-8-18)16-27-19(21-9-5-13-31-21)10-11-20(27)22(29)28(24)15-17-6-4-12-25-14-17/h4-6,9-14,18H,2-3,7-8,15-16H2,1H3,(H,26,30).

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

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).