[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C25H24FN3O2 — CID 118343444

IUPAC[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESC=Cc1cc(C(=O)N2CCN(C)CC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H24FN3O2/c1-3-18-16-23(27-24(17-18)25(30)29-14-12-28(2)13-15-29)19-4-8-21(9-5-19)31-22-10-6-20(26)7-11-22/h3-11,16-17H,1,12-15H2,2H3
InChIKeyGGBKZKYJZDRKEO-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.71
Rot. Bonds5

About [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 118343444) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID118343444
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESC=Cc1cc(C(=O)N2CCN(C)CC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H24FN3O2/c1-3-18-16-23(27-24(17-18)25(30)29-14-12-28(2)13-15-29)19-4-8-21(9-5-19)31-22-10-6-20(26)7-11-22/h3-11,16-17H,1,12-15H2,2H3
InChIKeyGGBKZKYJZDRKEO-UHFFFAOYSA-N
XLogP4.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
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Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
Pyridine amide, 29
CID 44237004
4-(6-(18F)fluoro-2-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
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2-methyl-6-(4-phenylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57391293
N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
CID 2530477
(4-Methoxyphenyl)(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)methanone hydrochloride
CID 24761156
[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
CID 757764
(2-Methoxyquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 258251

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 118343444) is [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is C=Cc1cc(C(=O)N2CCN(C)CC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GGBKZKYJZDRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-3-18-16-23(27-24(17-18)25(30)29-14-12-28(2)13-15-29)19-4-8-21(9-5-19)31-22-10-6-20(26)7-11-22/h3-11,16-17H,1,12-15H2,2H3.
What are the key properties of [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 417.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 118343444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).