[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

C23H22FN3O — CID 1485800

IUPAC[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCN1CCN(c2ccc(C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CC1
InChIInChI=1S/C23H22FN3O/c1-26-12-14-27(15-13-26)21-9-4-18(5-10-21)23(28)19-6-11-22(25-16-19)17-2-7-20(24)8-3-17/h2-11,16H,12-15H2,1H3
InChIKeyOPRHFMIJAVJXCA-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.87
Rot. Bonds4

About [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone

[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (PubChem CID 1485800) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
PubChem CID1485800
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCN1CCN(c2ccc(C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CC1
InChIInChI=1S/C23H22FN3O/c1-26-12-14-27(15-13-26)21-9-4-18(5-10-21)23(28)19-6-11-22(25-16-19)17-2-7-20(24)8-3-17/h2-11,16H,12-15H2,1H3
InChIKeyOPRHFMIJAVJXCA-UHFFFAOYSA-N
XLogP3.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
(4-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone
CID 7148698
N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
CID 155988728
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 46345558
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone (CID 1485800) is [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is CN1CCN(c2ccc(C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CC1.
What is the InChIKey of [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
The InChIKey is OPRHFMIJAVJXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-26-12-14-27(15-13-26)21-9-4-18(5-10-21)23(28)19-6-11-22(25-16-19)17-2-7-20(24)8-3-17/h2-11,16H,12-15H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone?
[6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone has a molecular weight of 375.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-3-pyridinyl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 1485800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).