N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H35FN4O2 — CID 22522330

About N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522330) has the molecular formula C26H35FN4O2 and a molecular weight of 454.59 g/mol. Its IUPAC name is N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 22522330
• Molecular Formula: C26H35FN4O2
• Molecular Weight: 454.59 g/mol
• Exact Mass: 454.27
• IUPAC Name: N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCCC1)N(Cc1ccc(F)cc1)C2=O
• InChI: InChI=1S/C26H35FN4O2/c1-18(2)22-15-23-24(32)30(16-19-11-13-20(27)14-12-19)26(3,17-31(23)29-22)25(33)28-21-9-7-5-4-6-8-10-21/h11-15,18,21H,4-10,16-17H2,1-3H3,(H,28,33)
• InChIKey: WSYPUHBNQJTDCL-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.59
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522330) is N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCCC1)N(Cc1ccc(F)cc1)C2=O.

What is the InChIKey of N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is WSYPUHBNQJTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2/c1-18(2)22-15-23-24(32)30(16-19-11-13-20(27)14-12-19)26(3,17-31(23)29-22)25(33)28-21-9-7-5-4-6-8-10-21/h11-15,18,21H,4-10,16-17H2,1-3H3,(H,28,33).

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

N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).