5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one

C22H24FN5O2 — CID 154988061

IUPAC5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one
SMILESCN(c1ccc(-c2cc(F)c(-c3cnn(C)c(=O)c3)cc2O)nn1)C1CCCCC1
InChIInChI=1S/C22H24FN5O2/c1-27(15-6-4-3-5-7-15)21-9-8-19(25-26-21)17-11-18(23)16(12-20(17)29)14-10-22(30)28(2)24-13-14/h8-13,15,29H,3-7H2,1-2H3
InChIKeyXLTAHSUXUJZGAV-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.52
Rot. Bonds4

About 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one

5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one (PubChem CID 154988061) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one
PubChem CID154988061
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one
SMILESCN(c1ccc(-c2cc(F)c(-c3cnn(C)c(=O)c3)cc2O)nn1)C1CCCCC1
InChIInChI=1S/C22H24FN5O2/c1-27(15-6-4-3-5-7-15)21-9-8-19(25-26-21)17-11-18(23)16(12-20(17)29)14-10-22(30)28(2)24-13-14/h8-13,15,29H,3-7H2,1-2H3
InChIKeyXLTAHSUXUJZGAV-UHFFFAOYSA-N
XLogP3.52
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

4-[2-fluoro-5-hydroxy-4-[6-[methyl-[(1S,3R)-3-methyl-3-propylcycloheptyl]amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one
CID 154987910
4-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1,6-dimethylpyridin-2-one
CID 154988068
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
(E)-3-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-N-methylbut-2-enamide
CID 166754116
4-[4-[6-[cyclopropyl-[(1S,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one
CID 166586388
2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1-methyl-2H-pyrimidin-4-yl)phenol
CID 175845532
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 137464840
4-[4-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 155407396
5-[4-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 154983385
6-[4-[6-[cyclopropyl-(2-fluorocyclopentyl)amino]-1,2,4-triazin-3-yl]-2-fluoro-5-hydroxyphenyl]-3-methylpyrimidin-4-one
CID 167302079
6-[4-[6-[[(1S,5R)-1,5-dimethyl-3-bicyclo[3.3.1]nonanyl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one
CID 155409166

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one (CID 154988061) is 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one is CN(c1ccc(-c2cc(F)c(-c3cnn(C)c(=O)c3)cc2O)nn1)C1CCCCC1.
What is the InChIKey of 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one?
The InChIKey is XLTAHSUXUJZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-27(15-6-4-3-5-7-15)21-9-8-19(25-26-21)17-11-18(23)16(12-20(17)29)14-10-22(30)28(2)24-13-14/h8-13,15,29H,3-7H2,1-2H3.
What are the key properties of 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one?
5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one has a molecular weight of 409.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 154988061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).