[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C23H21FN6O2 — CID 121163177

About [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 121163177) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
• PubChem CID: 121163177
• Molecular Formula: C23H21FN6O2
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.17
• IUPAC Name: [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
• InChI: InChI=1S/C23H21FN6O2/c24-18-4-2-16(3-5-18)17-14-20(25-15-17)23(31)29-12-8-19(9-13-29)32-22-7-6-21(27-28-22)30-11-1-10-26-30/h1-7,10-11,14-15,19,25H,8-9,12-13H2
• InChIKey: UEUPINOKCNDZID-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

The IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 121163177) is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

What is the SMILES notation for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

The canonical SMILES for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.

What is the InChIKey of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

The InChIKey is UEUPINOKCNDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-18-4-2-16(3-5-18)17-14-20(25-15-17)23(31)29-12-8-19(9-13-29)32-22-7-6-21(27-28-22)30-11-1-10-26-30/h1-7,10-11,14-15,19,25H,8-9,12-13H2.

What are the key properties of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 432.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121163177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).