(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one

C18H14F4N2O2 — CID 122382526

IUPAC(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(N2N=C(C(F)(F)F)[C@@H](c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C18H14F4N2O2/c1-26-14-8-6-13(7-9-14)24-16(25)10-15(17(23-24)18(20,21)22)11-2-4-12(19)5-3-11/h2-9,15H,10H2,1H3/t15-/m1/s1
InChIKeyAXKZFAWGBQJFLS-OAHLLOKOSA-N
MW366.31 g/mol
LogP4.27
Rot. Bonds3

About (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one

(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one (PubChem CID 122382526) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one
PubChem CID122382526
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(N2N=C(C(F)(F)F)[C@@H](c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C18H14F4N2O2/c1-26-14-8-6-13(7-9-14)24-16(25)10-15(17(23-24)18(20,21)22)11-2-4-12(19)5-3-11/h2-9,15H,10H2,1H3/t15-/m1/s1
InChIKeyAXKZFAWGBQJFLS-OAHLLOKOSA-N
XLogP4.27
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949769
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
(3S)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6925332
7-(4-fluorophenyl)-4-(3-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 46949831
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 6968409
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 3112386
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
3-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-oxothiomorpholine-2-carboxylic acid
CID 175653511
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one (CID 122382526) is (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one is COc1ccc(N2N=C(C(F)(F)F)[C@@H](c3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is AXKZFAWGBQJFLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-26-14-8-6-13(7-9-14)24-16(25)10-15(17(23-24)18(20,21)22)11-2-4-12(19)5-3-11/h2-9,15H,10H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one?
(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 366.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 122382526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).