N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

C30H32N6O2 — CID 177222250

About N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (PubChem CID 177222250) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
• PubChem CID: 177222250
• Molecular Formula: C30H32N6O2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.26
• IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
• SMILES: CC(=O)Nc1ccc(CNC(=O)c2ccc3n2CCN(Cc2ccc(-n4cccn4)cc2)C32CCC2)cc1
• InChI: InChI=1S/C30H32N6O2/c1-22(37)33-25-8-4-23(5-9-25)20-31-29(38)27-12-13-28-30(14-2-15-30)34(18-19-35(27)28)21-24-6-10-26(11-7-24)36-17-3-16-32-36/h3-13,16-17H,2,14-15,18-21H2,1H3,(H,31,38)(H,33,37)
• InChIKey: CUHLHQBZDZYZSH-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 84.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?

The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (CID 177222250) is N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.

What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?

The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2ccc3n2CCN(Cc2ccc(-n4cccn4)cc2)C32CCC2)cc1.

What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?

The InChIKey is CUHLHQBZDZYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-22(37)33-25-8-4-23(5-9-25)20-31-29(38)27-12-13-28-30(14-2-15-30)34(18-19-35(27)28)21-24-6-10-26(11-7-24)36-17-3-16-32-36/h3-13,16-17H,2,14-15,18-21H2,1H3,(H,31,38)(H,33,37).

What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?

N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 177222250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).