cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

C21H24F2N6O2 — CID 142411144

IUPACcyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESC1CCCCC1.Cn1cc(-n2nc(-c3ccc(C(F)F)nc3)cc(C(N)=O)c2=O)cn1
InChIInChI=1S/C15H12F2N6O2.C6H12/c1-22-7-9(6-20-22)23-15(25)10(14(18)24)4-12(21-23)8-2-3-11(13(16)17)19-5-8;1-2-4-6-5-3-1/h2-7,13H,1H3,(H2,18,24);1-6H2
InChIKeyDSVUYYHJYSLWLV-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.41
Rot. Bonds4

About cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 142411144) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Namecyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
PubChem CID142411144
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Namecyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESC1CCCCC1.Cn1cc(-n2nc(-c3ccc(C(F)F)nc3)cc(C(N)=O)c2=O)cn1
InChIInChI=1S/C15H12F2N6O2.C6H12/c1-22-7-9(6-20-22)23-15(25)10(14(18)24)4-12(21-23)8-2-3-11(13(16)17)19-5-8;1-2-4-6-5-3-1/h2-7,13H,1H3,(H2,18,24);1-6H2
InChIKeyDSVUYYHJYSLWLV-UHFFFAOYSA-N
XLogP3.41
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
CID 142411209
N-(1-amino-1-oxopropan-2-yl)-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517948
N-[(2S)-3,3-difluoro-2-hydroxypropyl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142410934
6-[6-(4-fluorophenyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518069
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
6-[4-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155337552
methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate
CID 135308562
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-oxopyridazine-4-carboxamide
CID 175278146
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411203
6-[4-(difluoromethyl)phenyl]-N-[(4R)-4-hydroxyoxolan-3-ylidene]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 147132119
N-[(2R)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304788
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 164896875

Frequently Asked Questions

What is the IUPAC name of cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 142411144) is cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is C1CCCCC1.Cn1cc(-n2nc(-c3ccc(C(F)F)nc3)cc(C(N)=O)c2=O)cn1.
What is the InChIKey of cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is DSVUYYHJYSLWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6O2.C6H12/c1-22-7-9(6-20-22)23-15(25)10(14(18)24)4-12(21-23)8-2-3-11(13(16)17)19-5-8;1-2-4-6-5-3-1/h2-7,13H,1H3,(H2,18,24);1-6H2.
What are the key properties of cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 142411144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).