3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide

C20H20FN7O — CID 53093115

IUPAC3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCc1c(C)nn(-c2ccc3nncn3n2)c1C
InChIInChI=1S/C20H20FN7O/c1-12-4-5-15(21)10-17(12)23-20(29)9-6-16-13(2)25-28(14(16)3)19-8-7-18-24-22-11-27(18)26-19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,23,29)
InChIKeyIYCNSYURFMFSIN-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.95
Rot. Bonds5

About 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide

3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 53093115) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID53093115
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCc1c(C)nn(-c2ccc3nncn3n2)c1C
InChIInChI=1S/C20H20FN7O/c1-12-4-5-15(21)10-17(12)23-20(29)9-6-16-13(2)25-28(14(16)3)19-8-7-18-24-22-11-27(18)26-19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,23,29)
InChIKeyIYCNSYURFMFSIN-UHFFFAOYSA-N
XLogP2.95
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009086
N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009094
N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53093152
N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 20950301
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9404851
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53009115
N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53006375
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946932
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069503
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide (CID 53093115) is 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)CCc1c(C)nn(-c2ccc3nncn3n2)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is IYCNSYURFMFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12-4-5-15(21)10-17(12)23-20(29)9-6-16-13(2)25-28(14(16)3)19-8-7-18-24-22-11-27(18)26-19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,23,29).
What are the key properties of 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 393.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 53093115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).