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

C26H26FN5O2 — CID 92892125

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

(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (PubChem CID 92892125) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
• PubChem CID: 92892125
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
• SMILES: COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)nccn3n2)c1
• InChI: InChI=1S/C26H26FN5O2/c1-34-22-6-2-4-19(14-22)23-15-24-25(28-11-13-32(24)30-23)31-12-3-5-20(17-31)26(33)29-16-18-7-9-21(27)10-8-18/h2,4,6-11,13-15,20H,3,5,12,16-17H2,1H3,(H,29,33)/t20-/m1/s1
• InChIKey: OTLPXQRJXFFZBH-HXUWFJFHSA-N
• XLogP: 4.08
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (CID 92892125) is (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)nccn3n2)c1.

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

The InChIKey is OTLPXQRJXFFZBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-34-22-6-2-4-19(14-22)23-15-24-25(28-11-13-32(24)30-23)31-12-3-5-20(17-31)26(33)29-16-18-7-9-21(27)10-8-18/h2,4,6-11,13-15,20H,3,5,12,16-17H2,1H3,(H,29,33)/t20-/m1/s1.

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

(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).