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

C22H25N7O — CID 53093152

IUPACN-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
SMILESCc1ccc(C)c(CNC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1
InChIInChI=1S/C22H25N7O/c1-14-5-6-15(2)18(11-14)12-23-22(30)10-7-19-16(3)26-29(17(19)4)21-9-8-20-25-24-13-28(20)27-21/h5-6,8-9,11,13H,7,10,12H2,1-4H3,(H,23,30)
InChIKeyJDMUDKLHAZAURK-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.79
Rot. Bonds6

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

N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide (PubChem CID 53093152) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
PubChem CID53093152
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
SMILESCc1ccc(C)c(CNC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1
InChIInChI=1S/C22H25N7O/c1-14-5-6-15(2)18(11-14)12-23-22(30)10-7-19-16(3)26-29(17(19)4)21-9-8-20-25-24-13-28(20)27-21/h5-6,8-9,11,13H,7,10,12H2,1-4H3,(H,23,30)
InChIKeyJDMUDKLHAZAURK-UHFFFAOYSA-N
XLogP2.79
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide (CID 53093152) is N-[(2,5-dimethylphenyl)methyl]-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-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide is Cc1ccc(C)c(CNC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
The InChIKey is JDMUDKLHAZAURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-14-5-6-15(2)18(11-14)12-23-22(30)10-7-19-16(3)26-29(17(19)4)21-9-8-20-25-24-13-28(20)27-21/h5-6,8-9,11,13H,7,10,12H2,1-4H3,(H,23,30).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide?
N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53093152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).