1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

C26H25ClFN5O — CID 50796543

About 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 50796543) has the molecular formula C26H25ClFN5O and a molecular weight of 477.97 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
• PubChem CID: 50796543
• Molecular Formula: C26H25ClFN5O
• Molecular Weight: 477.97 g/mol
• Exact Mass: 477.17
• IUPAC Name: 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
• SMILES: CC(NC(=O)C1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1)c1ccc(F)cc1
• InChI: InChI=1S/C26H25ClFN5O/c1-17(18-7-9-22(28)10-8-18)30-26(34)20-5-3-12-32(16-20)25-24-15-23(31-33(24)13-11-29-25)19-4-2-6-21(27)14-19/h2,4,6-11,13-15,17,20H,3,5,12,16H2,1H3,(H,30,34)
• InChIKey: PDCROQIXOACTHO-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.97
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?

The IUPAC name of 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 50796543) is 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1)c1ccc(F)cc1.

What is the InChIKey of 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?

The InChIKey is PDCROQIXOACTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O/c1-17(18-7-9-22(28)10-8-18)30-26(34)20-5-3-12-32(16-20)25-24-15-23(31-33(24)13-11-29-25)19-4-2-6-21(27)14-19/h2,4,6-11,13-15,17,20H,3,5,12,16H2,1H3,(H,30,34).

What are the key properties of 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?

1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50796543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).