1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

C27H28FN5O — CID 50797440

About 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 50797440) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
• PubChem CID: 50797440
• Molecular Formula: C27H28FN5O
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.23
• IUPAC Name: 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)Nc5ccc(C)c(F)c5)CC4)nccn3n2)c1
• InChI: InChI=1S/C27H28FN5O/c1-17-4-5-18(2)22(14-17)24-16-25-26(29-10-13-33(25)31-24)32-11-8-20(9-12-32)27(34)30-21-7-6-19(3)23(28)15-21/h4-7,10,13-16,20H,8-9,11-12H2,1-3H3,(H,30,34)
• InChIKey: VLWJWSRRVKEGNC-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 50797440) is 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)Nc5ccc(C)c(F)c5)CC4)nccn3n2)c1.

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

The InChIKey is VLWJWSRRVKEGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-17-4-5-18(2)22(14-17)24-16-25-26(29-10-13-33(25)31-24)32-11-8-20(9-12-32)27(34)30-21-7-6-19(3)23(28)15-21/h4-7,10,13-16,20H,8-9,11-12H2,1-3H3,(H,30,34).

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

1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50797440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).