6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one

C21H20F3N5O — CID 126936312

IUPAC6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-3-9-19(26-13-15)27-16-4-6-17(7-5-16)29-20(30)10-8-18(28-29)14-2-1-11-25-12-14/h1-3,8-13,16-17H,4-7H2,(H,26,27)
InChIKeyPMHPIKDTSUQYER-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.31
Rot. Bonds4

About 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one

6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one (PubChem CID 126936312) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
PubChem CID126936312
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-3-9-19(26-13-15)27-16-4-6-17(7-5-16)29-20(30)10-8-18(28-29)14-2-1-11-25-12-14/h1-3,8-13,16-17H,4-7H2,(H,26,27)
InChIKeyPMHPIKDTSUQYER-UHFFFAOYSA-N
XLogP4.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-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

6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936354
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 126936200
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
6-pyridin-3-yl-2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936442
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]oxolane-2-carboxamide
CID 126936236

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one (CID 126936312) is 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one is O=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one?
The InChIKey is PMHPIKDTSUQYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)15-3-9-19(26-13-15)27-16-4-6-17(7-5-16)29-20(30)10-8-18(28-29)14-2-1-11-25-12-14/h1-3,8-13,16-17H,4-7H2,(H,26,27).
What are the key properties of 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one?
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one has a molecular weight of 415.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126936312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).