[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone

C₂₇H₂₈FN₅O₂ — CID 67158286

About [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone

[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 67158286) has the molecular formula C₂₇H₂₈FN₅O₂ and a molecular weight of 473.55 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
• PubChem CID: 67158286
• Molecular Formula: C₂₇H₂₈FN₅O₂
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.22
• IUPAC Name: [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
• SMILES: COc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nn(C)cc3-c3ccc(F)cc3)[nH]2)c1
• InChI: InChI=1S/C27H28FN5O2/c1-32-17-23(18-9-11-20(28)12-10-18)26(31-32)27(34)33-13-4-3-7-21(33)15-25-29-16-24(30-25)19-6-5-8-22(14-19)35-2/h5-6,8-12,14,16-17,21H,3-4,7,13,15H2,1-2H3,(H,29,30)
• InChIKey: XENVYPCXUKKKLD-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?

The IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (CID 67158286) is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?

The canonical SMILES for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is COc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nn(C)cc3-c3ccc(F)cc3)[nH]2)c1.

What is the InChIKey of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?

The InChIKey is XENVYPCXUKKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-32-17-23(18-9-11-20(28)12-10-18)26(31-32)27(34)33-13-4-3-7-21(33)15-25-29-16-24(30-25)19-6-5-8-22(14-19)35-2/h5-6,8-12,14,16-17,21H,3-4,7,13,15H2,1-2H3,(H,29,30).

What are the key properties of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?

[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 473.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 67158286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67158286 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.