1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H26ClN5O3 — CID 53084353

About 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084353) has the molecular formula C26H26ClN5O3 and a molecular weight of 491.98 g/mol. Its IUPAC name is 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53084353
• Molecular Formula: C26H26ClN5O3
• Molecular Weight: 491.98 g/mol
• Exact Mass: 491.17
• IUPAC Name: 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CC1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccc3)c2C(=O)N1C1CC1
• InChI: InChI=1S/C26H26ClN5O3/c1-26(25(35)29-14-18-9-5-6-10-20(18)27)15-31-16-30-21(22(31)24(34)32(26)19-11-12-19)23(33)28-13-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3,(H,28,33)(H,29,35)
• InChIKey: GFZHQOARUZRURE-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.98
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084353) is 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CC1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccc3)c2C(=O)N1C1CC1.

What is the InChIKey of 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is GFZHQOARUZRURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O3/c1-26(25(35)29-14-18-9-5-6-10-20(18)27)15-31-16-30-21(22(31)24(34)32(26)19-11-12-19)23(33)28-13-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3,(H,28,33)(H,29,35).

What are the key properties of 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 491.98 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).