1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

C30H35N5O — CID 53086001

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

1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53086001) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 53086001
• Molecular Formula: C30H35N5O
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.28
• IUPAC Name: 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(-c2cc3c(N4CCCC(C(=O)NCc5ccc(C(C)C)cc5)C4)nccn3n2)c(C)c1
• InChI: InChI=1S/C30H35N5O/c1-20(2)24-10-8-23(9-11-24)18-32-30(36)25-6-5-14-34(19-25)29-28-17-27(33-35(28)15-13-31-29)26-12-7-21(3)16-22(26)4/h7-13,15-17,20,25H,5-6,14,18-19H2,1-4H3,(H,32,36)
• InChIKey: WBIDFOUDQMNDPN-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 53086001) is 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(-c2cc3c(N4CCCC(C(=O)NCc5ccc(C(C)C)cc5)C4)nccn3n2)c(C)c1.

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

The InChIKey is WBIDFOUDQMNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c1-20(2)24-10-8-23(9-11-24)18-32-30(36)25-6-5-14-34(19-25)29-28-17-27(33-35(28)15-13-31-29)26-12-7-21(3)16-22(26)4/h7-13,15-17,20,25H,5-6,14,18-19H2,1-4H3,(H,32,36).

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

1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53086001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).