5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one

C28H27FN2O2 — CID 69399105

IUPAC5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one
SMILESCOc1c(F)cccc1-c1c(C)nn(CCc2ccccc2)c(=O)c1CCc1ccccc1
InChIInChI=1S/C28H27FN2O2/c1-20-26(23-14-9-15-25(29)27(23)33-2)24(17-16-21-10-5-3-6-11-21)28(32)31(30-20)19-18-22-12-7-4-8-13-22/h3-15H,16-19H2,1-2H3
InChIKeyAHOMWGSFDJVHRS-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.39
Rot. Bonds8

About 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one

5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one (PubChem CID 69399105) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one
PubChem CID69399105
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC Name5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one
SMILESCOc1c(F)cccc1-c1c(C)nn(CCc2ccccc2)c(=O)c1CCc1ccccc1
InChIInChI=1S/C28H27FN2O2/c1-20-26(23-14-9-15-25(29)27(23)33-2)24(17-16-21-10-5-3-6-11-21)28(32)31(30-20)19-18-22-12-7-4-8-13-22/h3-15H,16-19H2,1-2H3
InChIKeyAHOMWGSFDJVHRS-UHFFFAOYSA-N
XLogP5.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one
CID 15541843
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369312
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-[(3,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369356
2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369419
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431
2-[(2,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369449
N-benzoyl-5-(-3'-methoxy phenyl)-3-phenylpyrazoline (2f)
CID 84973182
2-benzyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475387

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one?
The IUPAC name of 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one (CID 69399105) is 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one is COc1c(F)cccc1-c1c(C)nn(CCc2ccccc2)c(=O)c1CCc1ccccc1.
What is the InChIKey of 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one?
The InChIKey is AHOMWGSFDJVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O2/c1-20-26(23-14-9-15-25(29)27(23)33-2)24(17-16-21-10-5-3-6-11-21)28(32)31(30-20)19-18-22-12-7-4-8-13-22/h3-15H,16-19H2,1-2H3.
What are the key properties of 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one?
5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one has a molecular weight of 442.53 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methoxyphenyl)-6-methyl-2,4-bis(2-phenylethyl)pyridazin-3-one is sourced from PubChem (CID 69399105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).