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

C29H35N3O3 — CID 92741130

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

(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741130) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 92741130
• Molecular Formula: C29H35N3O3
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.27
• IUPAC Name: (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: CC1CCC(NC(=O)[C@]2(C)Cn3c(ccc3-c3ccco3)C(=O)N2CCCc2ccccc2)CC1
• InChI: InChI=1S/C29H35N3O3/c1-21-12-14-23(15-13-21)30-28(34)29(2)20-31-24(26-11-7-19-35-26)16-17-25(31)27(33)32(29)18-6-10-22-8-4-3-5-9-22/h3-5,7-9,11,16-17,19,21,23H,6,10,12-15,18,20H2,1-2H3,(H,30,34)/t21?,23?,29-/m0/s1
• InChIKey: GPQFAVRBPSYUEO-BJFQTCHOSA-N
• XLogP: 5.29
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741130) is (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1CCC(NC(=O)[C@]2(C)Cn3c(ccc3-c3ccco3)C(=O)N2CCCc2ccccc2)CC1.

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

The InChIKey is GPQFAVRBPSYUEO-BJFQTCHOSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-21-12-14-23(15-13-21)30-28(34)29(2)20-31-24(26-11-7-19-35-26)16-17-25(31)27(33)32(29)18-6-10-22-8-4-3-5-9-22/h3-5,7-9,11,16-17,19,21,23H,6,10,12-15,18,20H2,1-2H3,(H,30,34)/t21?,23?,29-/m0/s1.

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

(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).