(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone

C22H24FN5O — CID 95810882

About (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95810882) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 95810882
• Molecular Formula: C22H24FN5O
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.20
• IUPAC Name: (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
• InChI: InChI=1S/C22H24FN5O/c1-15(2)20-26-11-13-28(20)21-19(24-9-10-25-21)17-4-3-12-27(14-17)22(29)16-5-7-18(23)8-6-16/h5-11,13,15,17H,3-4,12,14H2,1-2H3/t17-/m0/s1
• InChIKey: FSMUCYKYXHPIGD-KRWDZBQOSA-N
• XLogP: 3.94
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95810882) is (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone is CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.

What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is FSMUCYKYXHPIGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15(2)20-26-11-13-28(20)21-19(24-9-10-25-21)17-4-3-12-27(14-17)22(29)16-5-7-18(23)8-6-16/h5-11,13,15,17H,3-4,12,14H2,1-2H3/t17-/m0/s1.

What are the key properties of (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 393.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95810882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).