1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one

C24H17F4N3O3 — CID 10298942

IUPAC1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1
InChIInChI=1S/C24H17F4N3O3/c1-34-18-9-7-16(8-10-18)31-20(14-22(29-31)24(26,27)28)21(32)12-15-5-6-17(13-19(15)25)30-11-3-2-4-23(30)33/h2-11,13-14H,12H2,1H3
InChIKeyKAXIWCWRYDCUJX-UHFFFAOYSA-N
MW471.41 g/mol
LogP4.62
Rot. Bonds6

About 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one

1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one (PubChem CID 10298942) has the molecular formula C24H17F4N3O3 and a molecular weight of 471.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one
PubChem CID10298942
Molecular FormulaC24H17F4N3O3
Molecular Weight471.41 g/mol
Exact Mass471.12
IUPAC Name1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1
InChIInChI=1S/C24H17F4N3O3/c1-34-18-9-7-16(8-10-18)31-20(14-22(29-31)24(26,27)28)21(32)12-15-5-6-17(13-19(15)25)30-11-3-2-4-23(30)33/h2-11,13-14H,12H2,1H3
InChIKeyKAXIWCWRYDCUJX-UHFFFAOYSA-N
XLogP4.62
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10117541
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 10208201
1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}piperidin-2-one
CID 10299701
1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}azepan-2-one
CID 10300491
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 24836819
N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
CID 23635264
1-(4-methoxyphenyl)-4-methyl-6-{4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-3-(trifluoromethyl)-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CID 22086990
Pyrazole scaffold, 1b
CID 25218466
1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 9890878
N-((1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-6(7H)-yl)phenyl)cyclopropyl)methyl)-N-methylmethanesulfonamide
CID 10099008
1-(4-Methoxyphenyl)-6-[4-[2-(methylaminomethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10118144
5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)acetyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 10275412

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one?
The IUPAC name of 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one (CID 10298942) is 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one is COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one?
The InChIKey is KAXIWCWRYDCUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O3/c1-34-18-9-7-16(8-10-18)31-20(14-22(29-31)24(26,27)28)21(32)12-15-5-6-17(13-19(15)25)30-11-3-2-4-23(30)33/h2-11,13-14H,12H2,1H3.
What are the key properties of 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one?
1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one has a molecular weight of 471.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[2-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoethyl]phenyl]pyridin-2-one is sourced from PubChem (CID 10298942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).