[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

C27H26FN5O2 — CID 110150700

About [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 110150700) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• PubChem CID: 110150700
• Molecular Formula: C27H26FN5O2
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.21
• IUPAC Name: [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• SMILES: Cc1nccn1Cc1cccc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)c1
• InChI: InChI=1S/C27H26FN5O2/c1-19-29-12-15-33(19)18-20-4-2-5-22(16-20)27(34)32-13-8-21(9-14-32)25-26(31-11-10-30-25)35-24-7-3-6-23(28)17-24/h2-7,10-12,15-17,21H,8-9,13-14,18H2,1H3
• InChIKey: PYHLABBOUQGRLQ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (CID 110150700) is [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

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

The canonical SMILES for [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is Cc1nccn1Cc1cccc(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)c1.

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

The InChIKey is PYHLABBOUQGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-19-29-12-15-33(19)18-20-4-2-5-22(16-20)27(34)32-13-8-21(9-14-32)25-26(31-11-10-30-25)35-24-7-3-6-23(28)17-24/h2-7,10-12,15-17,21H,8-9,13-14,18H2,1H3.

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

[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 471.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 110150700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).