[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C23H22FN7O2 — CID 99994069

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99994069) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 99994069
• Molecular Formula: C23H22FN7O2
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.18
• IUPAC Name: [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C23H22FN7O2/c1-30-20(12-18(28-30)16-4-6-17(24)7-5-16)23(32)31-10-2-3-15(14-31)11-21-27-22(29-33-21)19-13-25-8-9-26-19/h4-9,12-13,15H,2-3,10-11,14H2,1H3/t15-/m0/s1
• InChIKey: NTALSYXFYVQWRC-HNNXBMFYSA-N
• XLogP: 3.16
• TPSA: 102.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 99994069) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is NTALSYXFYVQWRC-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-30-20(12-18(28-30)16-4-6-17(24)7-5-16)23(32)31-10-2-3-15(14-31)11-21-27-22(29-33-21)19-13-25-8-9-26-19/h4-9,12-13,15H,2-3,10-11,14H2,1H3/t15-/m0/s1.

What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 447.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99994069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).