[3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

C23H22FN3O — CID 122560422

IUPAC[3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(-c4ccc(F)cc4)nn3)c2)CC1
InChIInChI=1S/C23H22FN3O/c1-16-11-13-27(14-12-16)23(28)19-4-2-3-18(15-19)22-10-9-21(25-26-22)17-5-7-20(24)8-6-17/h2-10,15-16H,11-14H2,1H3
InChIKeyIOGCQPBELCUPIY-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.82
Rot. Bonds3

About [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

[3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 122560422) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID122560422
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccc(-c4ccc(F)cc4)nn3)c2)CC1
InChIInChI=1S/C23H22FN3O/c1-16-11-13-27(14-12-16)23(28)19-4-2-3-18(15-19)22-10-9-21(25-26-22)17-5-7-20(24)8-6-17/h2-10,15-16H,11-14H2,1H3
InChIKeyIOGCQPBELCUPIY-UHFFFAOYSA-N
XLogP4.82
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-Difluorophenyl)-2-[[3-(6-methylpyridazin-3-yl)phenyl]methyl]pyridazin-3-one
CID 68505435
US10550073, Example 80
CID 135283618
US10550073, Example 62
CID 135294061
[4-[6-[(3-Fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808977
(4-Methylpiperidin-1-yl)-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone
CID 6418773
(2-Fluorophenyl)(4-(6-(p-tolyl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 42110649
3-(6-Isopropylpyridazin-3-YL)-N-[3-(3-oxopiperazin-1-YL)propyl]benzamide
CID 118763987
4-[(3S)-1-[3-(6-methylpyridazin-3-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 137084140
[4-(4-Fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
CID 50938771
[4-(2,4-Difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
CID 50938772
(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 54103637
6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide
CID 56847724

Frequently Asked Questions

What is the IUPAC name of [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 122560422) is [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-c3ccc(-c4ccc(F)cc4)nn3)c2)CC1.
What is the InChIKey of [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IOGCQPBELCUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-16-11-13-27(14-12-16)23(28)19-4-2-3-18(15-19)22-10-9-21(25-26-22)17-5-7-20(24)8-6-17/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 375.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(4-fluorophenyl)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 122560422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).