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

C27H31N3O4 — CID 92741038

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

(3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741038) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 92741038
• Molecular Formula: C27H31N3O4
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.23
• IUPAC Name: (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)c1
• InChI: InChI=1S/C27H31N3O4/c1-27(26(32)28-20-9-4-3-5-10-20)18-29-22(24-12-7-15-34-24)13-14-23(29)25(31)30(27)17-19-8-6-11-21(16-19)33-2/h6-8,11-16,20H,3-5,9-10,17-18H2,1-2H3,(H,28,32)/t27-/m0/s1
• InChIKey: BFEKJWFGXKWNNG-MHZLTWQESA-N
• XLogP: 4.62
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741038) is (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)c1.

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

The InChIKey is BFEKJWFGXKWNNG-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N3O4/c1-27(26(32)28-20-9-4-3-5-10-20)18-29-22(24-12-7-15-34-24)13-14-23(29)25(31)30(27)17-19-8-6-11-21(16-19)33-2/h6-8,11-16,20H,3-5,9-10,17-18H2,1-2H3,(H,28,32)/t27-/m0/s1.

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

(3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).