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

C19H17F2N7O — CID 53009086

IUPACN-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N7O/c1-11-14(4-8-19(29)23-16-5-3-13(20)9-15(16)21)12(2)28(25-11)18-7-6-17-24-22-10-27(17)26-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,23,29)
InChIKeyXXQSCAPKIXILDR-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.78
Rot. Bonds5

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

N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide (PubChem CID 53009086) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
PubChem CID53009086
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC NameN-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
SMILESCc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N7O/c1-11-14(4-8-19(29)23-16-5-3-13(20)9-15(16)21)12(2)28(25-11)18-7-6-17-24-22-10-27(17)26-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,23,29)
InChIKeyXXQSCAPKIXILDR-UHFFFAOYSA-N
XLogP2.78
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53006375
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
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
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
N-(2,4-difluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956863
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
3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 135892844

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 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) is N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide is Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The InChIKey is XXQSCAPKIXILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-11-14(4-8-19(29)23-16-5-3-13(20)9-15(16)21)12(2)28(25-11)18-7-6-17-24-22-10-27(17)26-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,23,29).
What are the key properties of N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide has a molecular weight of 397.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53009086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).