(6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H40N4O3 — CID 92738770

About (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738770) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738770
• Molecular Formula: C28H40N4O3
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.31
• IUPAC Name: (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCCOc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C28H40N4O3/c1-6-16-35-22-14-12-20(13-15-22)18-31-25(33)23-17-24(27(2,3)4)30-32(23)19-28(31,5)26(34)29-21-10-8-7-9-11-21/h12-15,17,21H,6-11,16,18-19H2,1-5H3,(H,29,34)/t28-/m1/s1
• InChIKey: PRQDHAHDIZZUPM-MUUNZHRXSA-N
• XLogP: 4.83
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738770) is (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCCOc1ccc(CN2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1.

What is the InChIKey of (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is PRQDHAHDIZZUPM-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H40N4O3/c1-6-16-35-22-14-12-20(13-15-22)18-31-25(33)23-17-24(27(2,3)4)30-32(23)19-28(31,5)26(34)29-21-10-8-7-9-11-21/h12-15,17,21H,6-11,16,18-19H2,1-5H3,(H,29,34)/t28-/m1/s1.

What are the key properties of (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).