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

C22H25N7O — CID 53009115

IUPAC3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c1
InChIInChI=1S/C22H25N7O/c1-13-10-14(2)12-18(11-13)23-22(30)9-6-19-15(3)26-28(16(19)4)21-8-7-20-25-24-17(5)29(20)27-21/h7-8,10-12H,6,9H2,1-5H3,(H,23,30)
InChIKeyINSROMZRFQEKCY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.42
Rot. Bonds5

About 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

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 (PubChem CID 53009115) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
PubChem CID53009115
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c1
InChIInChI=1S/C22H25N7O/c1-13-10-14(2)12-18(11-13)23-22(30)9-6-19-15(3)26-28(16(19)4)21-8-7-20-25-24-17(5)29(20)27-21/h7-8,10-12H,6,9H2,1-5H3,(H,23,30)
InChIKeyINSROMZRFQEKCY-UHFFFAOYSA-N
XLogP3.42
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
6-(3,5-dimethyl-4-propylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 139524458
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53093224
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53069666
N-(3-aminophenyl)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)propanamide
CID 84613542
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 139510303
ethyl 4-acetyl-5-oxohexanoate;ethyl 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanoate;methane;(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazine
CID 162094846
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 139512801
4-[[4-[3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanoyl]piperazin-1-yl]methyl]benzoic acid
CID 139510481
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 53093197
1-[(3R)-3-benzylpyrrolidin-1-yl]-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
CID 134354897
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946932

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c1.
What is the InChIKey of 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?
The InChIKey is INSROMZRFQEKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-13-10-14(2)12-18(11-13)23-22(30)9-6-19-15(3)26-28(16(19)4)21-8-7-20-25-24-17(5)29(20)27-21/h7-8,10-12H,6,9H2,1-5H3,(H,23,30).
What are the key properties of 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?
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 has a molecular weight of 403.49 g/mol, XLogP of 3.42, 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-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 53009115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).