3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile

C20H11F3N4O — CID 176747630

IUPAC3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile
SMILESN#Cc1cccc2c(-c3cc[nH]c(=O)c3)nn(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C20H11F3N4O/c21-20(22,23)14-4-6-15(7-5-14)27-19-13(11-24)2-1-3-16(19)18(26-27)12-8-9-25-17(28)10-12/h1-10H,(H,25,28)
InChIKeyJEKZQJQUXKCZLX-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.27
Rot. Bonds2

About 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile

3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile (PubChem CID 176747630) has the molecular formula C20H11F3N4O and a molecular weight of 380.33 g/mol. Its IUPAC name is 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile.

Molecular Properties

Compound Name3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile
PubChem CID176747630
Molecular FormulaC20H11F3N4O
Molecular Weight380.33 g/mol
Exact Mass380.09
IUPAC Name3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile
SMILESN#Cc1cccc2c(-c3cc[nH]c(=O)c3)nn(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C20H11F3N4O/c21-20(22,23)14-4-6-15(7-5-14)27-19-13(11-24)2-1-3-16(19)18(26-27)12-8-9-25-17(28)10-12/h1-10H,(H,25,28)
InChIKeyJEKZQJQUXKCZLX-UHFFFAOYSA-N
XLogP4.27
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile 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
4-[3-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
CID 22079228
4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one
CID 176747602
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
7-methyl-4-[3-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
CID 22079222
1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one
CID 176747636
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
N-(4-cyano-2,5-difluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methanesulfonamide
CID 54097394
4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
CID 159038267
2-(3-methylsulfanylphenyl)-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928434
3-(3-iodophenyl)-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3933009

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile?
The IUPAC name of 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile (CID 176747630) is 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile.
What is the SMILES notation for 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile?
The canonical SMILES for 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile is N#Cc1cccc2c(-c3cc[nH]c(=O)c3)nn(-c3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile?
The InChIKey is JEKZQJQUXKCZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O/c21-20(22,23)14-4-6-15(7-5-14)27-19-13(11-24)2-1-3-16(19)18(26-27)12-8-9-25-17(28)10-12/h1-10H,(H,25,28).
What are the key properties of 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile?
3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile has a molecular weight of 380.33 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-pyridin-4-yl)-1-[4-(trifluoromethyl)phenyl]indazole-7-carbonitrile is sourced from PubChem (CID 176747630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).