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

C23H21FN6O2 — CID 121163177

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=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
InChIKeyUEUPINOKCNDZID-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.48
Rot. Bonds5

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 CID121163177
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=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
InChIKeyUEUPINOKCNDZID-UHFFFAOYSA-N
XLogP3.48
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).

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