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

C26H26ClN5O — CID 92892093

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

(3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 92892093) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
• PubChem CID: 92892093
• Molecular Formula: C26H26ClN5O
• Molecular Weight: 459.98 g/mol
• Exact Mass: 459.18
• IUPAC Name: (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)[C@@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1)c1ccccc1
• InChI: InChI=1S/C26H26ClN5O/c1-18(19-7-3-2-4-8-19)29-26(33)21-10-6-13-31(17-21)25-24-16-23(30-32(24)14-12-28-25)20-9-5-11-22(27)15-20/h2-5,7-9,11-12,14-16,18,21H,6,10,13,17H2,1H3,(H,29,33)/t18-,21-/m1/s1
• InChIKey: IQCUCTQUZXNBEE-WIYYLYMNSA-N
• XLogP: 5.14
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.98
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide (CID 92892093) is (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1)c1ccccc1.

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

The InChIKey is IQCUCTQUZXNBEE-WIYYLYMNSA-N. The full InChI is InChI=1S/C26H26ClN5O/c1-18(19-7-3-2-4-8-19)29-26(33)21-10-6-13-31(17-21)25-24-16-23(30-32(24)14-12-28-25)20-9-5-11-22(27)15-20/h2-5,7-9,11-12,14-16,18,21H,6,10,13,17H2,1H3,(H,29,33)/t18-,21-/m1/s1.

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

(3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92892093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).