1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide

C26H26FN5O — CID 50797159

About 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide

1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 50797159) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
• PubChem CID: 50797159
• Molecular Formula: C26H26FN5O
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.21
• IUPAC Name: 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
• SMILES: CC(NC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1)c1ccccc1
• InChI: InChI=1S/C26H26FN5O/c1-18(19-5-3-2-4-6-19)29-26(33)21-11-14-31(15-12-21)25-24-17-23(30-32(24)16-13-28-25)20-7-9-22(27)10-8-20/h2-10,13,16-18,21H,11-12,14-15H2,1H3,(H,29,33)
• InChIKey: VOCSMEKUMBZZAY-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide (CID 50797159) is 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1)c1ccccc1.

What is the InChIKey of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?

The InChIKey is VOCSMEKUMBZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-18(19-5-3-2-4-6-19)29-26(33)21-11-14-31(15-12-21)25-24-17-23(30-32(24)16-13-28-25)20-7-9-22(27)10-8-20/h2-10,13,16-18,21H,11-12,14-15H2,1H3,(H,29,33).

What are the key properties of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide?

1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50797159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).