(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C28H33N3O3 — CID 92734799

About (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92734799) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 92734799
• Molecular Formula: C28H33N3O3
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.25
• IUPAC Name: (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1
• InChI: InChI=1S/C28H33N3O3/c1-20-11-13-21(14-12-20)18-31-26(32)24-16-15-23(25-10-7-17-34-25)30(24)19-28(31,2)27(33)29-22-8-5-3-4-6-9-22/h7,10-17,22H,3-6,8-9,18-19H2,1-2H3,(H,29,33)/t28-/m1/s1
• InChIKey: VUHUEMBKHXBYBB-MUUNZHRXSA-N
• XLogP: 5.31
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92734799) is (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1.

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

The InChIKey is VUHUEMBKHXBYBB-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-20-11-13-21(14-12-20)18-31-26(32)24-16-15-23(25-10-7-17-34-25)30(24)19-28(31,2)27(33)29-22-8-5-3-4-6-9-22/h7,10-17,22H,3-6,8-9,18-19H2,1-2H3,(H,29,33)/t28-/m1/s1.

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

(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92734799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).