(6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C30H36N4O2 — CID 92704003

About (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92704003) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92704003
• Molecular Formula: C30H36N4O2
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.28
• IUPAC Name: (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccccc1N1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C[C@@]1(C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C30H36N4O2/c1-20(2)22-14-16-23(17-15-22)25-18-27-28(35)34(26-13-9-8-10-21(26)3)30(4,19-33(27)32-25)29(36)31-24-11-6-5-7-12-24/h8-10,13-18,20,24H,5-7,11-12,19H2,1-4H3,(H,31,36)/t30-/m0/s1
• InChIKey: SZSVLSMDSOKTJU-PMERELPUSA-N
• XLogP: 5.85
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92704003) is (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccccc1N1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C[C@@]1(C)C(=O)NC1CCCCC1.

What is the InChIKey of (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is SZSVLSMDSOKTJU-PMERELPUSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-20(2)22-14-16-23(17-15-22)25-18-27-28(35)34(26-13-9-8-10-21(26)3)30(4,19-33(27)32-25)29(36)31-24-11-6-5-7-12-24/h8-10,13-18,20,24H,5-7,11-12,19H2,1-4H3,(H,31,36)/t30-/m0/s1.

What are the key properties of (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92704003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).