7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide

C28H29N5O3 — CID 53084080

About 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide

7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53084080) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 53084080
• Molecular Formula: C28H29N5O3
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.23
• IUPAC Name: 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(CNC(=O)C2(C)Cn3cnc(C(=O)N4CCc5ccccc54)c3C(=O)N2C2CC2)cc1
• InChI: InChI=1S/C28H29N5O3/c1-18-7-9-19(10-8-18)15-29-27(36)28(2)16-31-17-30-23(24(31)26(35)33(28)21-11-12-21)25(34)32-14-13-20-5-3-4-6-22(20)32/h3-10,17,21H,11-16H2,1-2H3,(H,29,36)
• InChIKey: ZFNKWDPHVYSVGC-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide (CID 53084080) is 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(CNC(=O)C2(C)Cn3cnc(C(=O)N4CCc5ccccc54)c3C(=O)N2C2CC2)cc1.

What is the InChIKey of 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is ZFNKWDPHVYSVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-18-7-9-19(10-8-18)15-29-27(36)28(2)16-31-17-30-23(24(31)26(35)33(28)21-11-12-21)25(34)32-14-13-20-5-3-4-6-22(20)32/h3-10,17,21H,11-16H2,1-2H3,(H,29,36).

What are the key properties of 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide?

7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-1-(2,3-dihydroindole-1-carbonyl)-6-methyl-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53084080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).