5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile

C24H19F5N4O — CID 177327962

IUPAC5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile
SMILESN#Cc1cc(C2CCC(c3c(F)cccc3F)CC2)c(=O)n(Cc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C24H19F5N4O/c25-19-4-1-5-20(26)22(19)15-8-6-14(7-9-15)17-11-16(12-30)32-33(23(17)34)13-21-18(24(27,28)29)3-2-10-31-21/h1-5,10-11,14-15H,6-9,13H2
InChIKeyFDIMGPCQJWFKAZ-UHFFFAOYSA-N
MW474.43 g/mol
LogP5.30
Rot. Bonds4

About 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile

5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile (PubChem CID 177327962) has the molecular formula C24H19F5N4O and a molecular weight of 474.43 g/mol. Its IUPAC name is 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile
PubChem CID177327962
Molecular FormulaC24H19F5N4O
Molecular Weight474.43 g/mol
Exact Mass474.15
IUPAC Name5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile
SMILESN#Cc1cc(C2CCC(c3c(F)cccc3F)CC2)c(=O)n(Cc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C24H19F5N4O/c25-19-4-1-5-20(26)22(19)15-8-6-14(7-9-15)17-11-16(12-30)32-33(23(17)34)13-21-18(24(27,28)29)3-2-10-31-21/h1-5,10-11,14-15H,6-9,13H2
InChIKeyFDIMGPCQJWFKAZ-UHFFFAOYSA-N
XLogP5.30
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-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

6-ethoxy-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327529
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328175
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-pyrimidin-4-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327586
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328279
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[6-(trifluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327968
N-(2,2-difluoroethyl)-5-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carboxamide
CID 177327749
4-cyclohexyl-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327859
4-cyclohexyl-6-morpholin-4-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328210
3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279647
4-cyclohexyl-6-(6-methylpyrimidin-4-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
CID 177328171
4-cyclohexyl-6-(3,3-difluoro-2-oxopyrrolidin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177328298
4-cyclohexyl-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
CID 177327858

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile?
The IUPAC name of 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile (CID 177327962) is 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile?
The canonical SMILES for 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile is N#Cc1cc(C2CCC(c3c(F)cccc3F)CC2)c(=O)n(Cc2ncccc2C(F)(F)F)n1.
What is the InChIKey of 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile?
The InChIKey is FDIMGPCQJWFKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N4O/c25-19-4-1-5-20(26)22(19)15-8-6-14(7-9-15)17-11-16(12-30)32-33(23(17)34)13-21-18(24(27,28)29)3-2-10-31-21/h1-5,10-11,14-15H,6-9,13H2.
What are the key properties of 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile?
5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile has a molecular weight of 474.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-difluorophenyl)cyclohexyl]-6-oxo-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 177327962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).