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

C25H23ClFN5O — CID 92892088

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

(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 92892088) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92892088
• Molecular Formula: C25H23ClFN5O
• Molecular Weight: 463.94 g/mol
• Exact Mass: 463.16
• IUPAC Name: (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1
• InChI: InChI=1S/C25H23ClFN5O/c26-20-5-1-3-18(13-20)22-14-23-24(28-10-12-32(23)30-22)31-11-2-4-19(16-31)25(33)29-15-17-6-8-21(27)9-7-17/h1,3,5-10,12-14,19H,2,4,11,15-16H2,(H,29,33)/t19-/m0/s1
• InChIKey: ZCGHHYYBWFXBAY-IBGZPJMESA-N
• XLogP: 4.72
• 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	463.94
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 92892088) is (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1.

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

The InChIKey is ZCGHHYYBWFXBAY-IBGZPJMESA-N. The full InChI is InChI=1S/C25H23ClFN5O/c26-20-5-1-3-18(13-20)22-14-23-24(28-10-12-32(23)30-22)31-11-2-4-19(16-31)25(33)29-15-17-6-8-21(27)9-7-17/h1,3,5-10,12-14,19H,2,4,11,15-16H2,(H,29,33)/t19-/m0/s1.

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

(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92892088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).