1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one

C24H20F3N3O2 — CID 176747636

IUPAC1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one
SMILESO=c1cc(-c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)ccn1C1CCOCC1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)17-5-7-19(8-6-17)30-21-4-2-1-3-20(21)23(28-30)16-9-12-29(22(31)15-16)18-10-13-32-14-11-18/h1-9,12,15,18H,10-11,13-14H2
InChIKeyGGNYTQVRHUOCDD-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.22
Rot. Bonds3

About 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one

1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one (PubChem CID 176747636) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one
PubChem CID176747636
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one
SMILESO=c1cc(-c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)ccn1C1CCOCC1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)17-5-7-19(8-6-17)30-21-4-2-1-3-20(21)23(28-30)16-9-12-29(22(31)15-16)18-10-13-32-14-11-18/h1-9,12,15,18H,10-11,13-14H2
InChIKeyGGNYTQVRHUOCDD-UHFFFAOYSA-N
XLogP5.22
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
1-[[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]imidazolidin-2-one
CID 168830277
4-[3-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
CID 22079228
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile
CID 176747630
3-amino-1-(oxan-4-yl)-5-(trifluoromethyl)pyridin-2-one
CID 167134417
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
2-(4-methylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928283
4-methyl-1-(oxan-4-yl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66584532
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one?
The IUPAC name of 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one (CID 176747636) is 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one is O=c1cc(-c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)ccn1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one?
The InChIKey is GGNYTQVRHUOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)17-5-7-19(8-6-17)30-21-4-2-1-3-20(21)23(28-30)16-9-12-29(22(31)15-16)18-10-13-32-14-11-18/h1-9,12,15,18H,10-11,13-14H2.
What are the key properties of 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one?
1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one has a molecular weight of 439.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one is sourced from PubChem (CID 176747636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).