5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C20H14F3N3O — CID 129052048

IUPAC5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)17-4-2-1-3-16(17)12-26-11-15(7-8-19(26)27)13-5-6-14-10-24-25-18(14)9-13/h1-11H,12H2,(H,24,25)
InChIKeyHEBJJJVAANGHLJ-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.46
Rot. Bonds3

About 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 129052048) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID129052048
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)17-4-2-1-3-16(17)12-26-11-15(7-8-19(26)27)13-5-6-14-10-24-25-18(14)9-13/h1-11H,12H2,(H,24,25)
InChIKeyHEBJJJVAANGHLJ-UHFFFAOYSA-N
XLogP4.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(bromomethyl)phenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[[2-(hydroxymethyl)phenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 161240899
1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052059
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate
CID 140931435
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 174839288
1-[[4-(2-aminoethylamino)-3-nitrophenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;hydrochloride
CID 129052017
1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 57080745
4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
CID 162477073
4-methyl-5-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483787
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
CID 144741980
11-[[2-(trifluoromethyl)phenyl]methyl]-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 59507125

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 129052048) is 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is HEBJJJVAANGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c21-20(22,23)17-4-2-1-3-16(17)12-26-11-15(7-8-19(26)27)13-5-6-14-10-24-25-18(14)9-13/h1-11H,12H2,(H,24,25).
What are the key properties of 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 369.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 129052048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).