[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C27H26FN5O2 — CID 110149967

About [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110149967) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110149967
• Molecular Formula: C27H26FN5O2
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.21
• IUPAC Name: [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(C)n(-c2cccc(C(=O)N3CCC(c4nccnc4Oc4cccc(F)c4)CC3)c2)n1
• InChI: InChI=1S/C27H26FN5O2/c1-18-15-19(2)33(31-18)23-7-3-5-21(16-23)27(34)32-13-9-20(10-14-32)25-26(30-12-11-29-25)35-24-8-4-6-22(28)17-24/h3-8,11-12,15-17,20H,9-10,13-14H2,1-2H3
• InChIKey: LBWRYOPHJJTYIP-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110149967) is [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cc(C)n(-c2cccc(C(=O)N3CCC(c4nccnc4Oc4cccc(F)c4)CC3)c2)n1.

What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is LBWRYOPHJJTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-18-15-19(2)33(31-18)23-7-3-5-21(16-23)27(34)32-13-9-20(10-14-32)25-26(30-12-11-29-25)35-24-8-4-6-22(28)17-24/h3-8,11-12,15-17,20H,9-10,13-14H2,1-2H3.

What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 471.54 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110149967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).