2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C17H14F3N7O2S — CID 163219297

IUPAC2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2sc(C(F)(F)F)nc12
InChIInChI=1S/C17H14F3N7O2S/c1-8(2)12-13-14(30-16(23-13)17(18,19)20)15(29)27(25-12)6-11(28)22-9-3-4-10-24-21-7-26(10)5-9/h3-5,7-8H,6H2,1-2H3,(H,22,28)
InChIKeyUIALNOBOXDLVBP-UHFFFAOYSA-N
MW437.41 g/mol
LogP2.68
Rot. Bonds4

About 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 163219297) has the molecular formula C17H14F3N7O2S and a molecular weight of 437.41 g/mol. Its IUPAC name is 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID163219297
Molecular FormulaC17H14F3N7O2S
Molecular Weight437.41 g/mol
Exact Mass437.09
IUPAC Name2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2sc(C(F)(F)F)nc12
InChIInChI=1S/C17H14F3N7O2S/c1-8(2)12-13-14(30-16(23-13)17(18,19)20)15(29)27(25-12)6-11(28)22-9-3-4-10-24-21-7-26(10)5-9/h3-5,7-8H,6H2,1-2H3,(H,22,28)
InChIKeyUIALNOBOXDLVBP-UHFFFAOYSA-N
XLogP2.68
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-oxo-4-propan-2-yl-6-(trifluoromethoxy)phthalazin-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 162364208
2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914281
2-[4-(dimethylamino)-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 166097067
2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914138
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 163219305
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
CID 163219352
2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914349
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 162364165
N-[5-chloro-1-(difluoromethyl)-6-oxo-3-pyridinyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364314
[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
CID 66623612
2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
CID 176648399
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-7-ylacetamide
CID 163219359

Frequently Asked Questions

What is the IUPAC name of 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 163219297) is 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2sc(C(F)(F)F)nc12.
What is the InChIKey of 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is UIALNOBOXDLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O2S/c1-8(2)12-13-14(30-16(23-13)17(18,19)20)15(29)27(25-12)6-11(28)22-9-3-4-10-24-21-7-26(10)5-9/h3-5,7-8H,6H2,1-2H3,(H,22,28).
What are the key properties of 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 437.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 163219297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).