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

C24H29N7O2 — CID 53093224

IUPAC3-[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
SMILESCc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H29N7O2/c1-15(2)33-20-8-6-19(7-9-20)14-25-24(32)13-10-21-16(3)28-30(17(21)4)23-12-11-22-27-26-18(5)31(22)29-23/h6-9,11-12,15H,10,13-14H2,1-5H3,(H,25,32)
InChIKeyQGQLDVNEQKZAAC-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.27
Rot. Bonds8

About 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

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 (PubChem CID 53093224) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 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-[(4-propan-2-yloxyphenyl)methyl]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-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID53093224
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name3-[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
SMILESCc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H29N7O2/c1-15(2)33-20-8-6-19(7-9-20)14-25-24(32)13-10-21-16(3)28-30(17(21)4)23-12-11-22-27-26-18(5)31(22)29-23/h6-9,11-12,15H,10,13-14H2,1-5H3,(H,25,32)
InChIKeyQGQLDVNEQKZAAC-UHFFFAOYSA-N
XLogP3.27
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(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
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]-1-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 139510303
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
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-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one
CID 134349001
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 139510419
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-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802

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-[(4-propan-2-yloxyphenyl)methyl]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-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 53093224) is 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.
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-[(4-propan-2-yloxyphenyl)methyl]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-[(4-propan-2-yloxyphenyl)methyl]propanamide is Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)NCc1ccc(OC(C)C)cc1.
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-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is QGQLDVNEQKZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15(2)33-20-8-6-19(7-9-20)14-25-24(32)13-10-21-16(3)28-30(17(21)4)23-12-11-22-27-26-18(5)31(22)29-23/h6-9,11-12,15H,10,13-14H2,1-5H3,(H,25,32).
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-[(4-propan-2-yloxyphenyl)methyl]propanamide?
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 has a molecular weight of 447.54 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 53093224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).