N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C28H31N3O2 — CID 50757978

About N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 50757978) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 50757978
• Molecular Formula: C28H31N3O2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.24
• IUPAC Name: N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: Cc1ccccc1CN1C(=O)c2ccc(-c3ccccc3)n2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C28H31N3O2/c1-20-10-6-7-13-22(20)18-31-26(32)25-17-16-24(21-11-4-3-5-12-21)30(25)19-28(31,2)27(33)29-23-14-8-9-15-23/h3-7,10-13,16-17,23H,8-9,14-15,18-19H2,1-2H3,(H,29,33)
• InChIKey: HWUBQJDTAWRWPN-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 50757978) is N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

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

The canonical SMILES for N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is Cc1ccccc1CN1C(=O)c2ccc(-c3ccccc3)n2CC1(C)C(=O)NC1CCCC1.

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

The InChIKey is HWUBQJDTAWRWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20-10-6-7-13-22(20)18-31-26(32)25-17-16-24(21-11-4-3-5-12-21)30(25)19-28(31,2)27(33)29-23-14-8-9-15-23/h3-7,10-13,16-17,23H,8-9,14-15,18-19H2,1-2H3,(H,29,33).

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

N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 50757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).