(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H33N5O3 — CID 95072786

About (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072786) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072786
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: Cc1ccc(CCNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1
• InChI: InChI=1S/C26H33N5O3/c1-17-7-9-18(10-8-17)13-14-27-23(32)21-22-24(33)31(20-11-12-20)26(2,15-30(22)16-28-21)25(34)29-19-5-3-4-6-19/h7-10,16,19-20H,3-6,11-15H2,1-2H3,(H,27,32)(H,29,34)/t26-/m1/s1
• InChIKey: HFWJKTROPVRBDS-AREMUKBSSA-N
• XLogP: 2.60
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072786) is (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1ccc(CCNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1.

What is the InChIKey of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is HFWJKTROPVRBDS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17-7-9-18(10-8-17)13-14-27-23(32)21-22-24(33)31(20-11-12-20)26(2,15-30(22)16-28-21)25(34)29-19-5-3-4-6-19/h7-10,16,19-20H,3-6,11-15H2,1-2H3,(H,27,32)(H,29,34)/t26-/m1/s1.

What are the key properties of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).