2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide

C17H15F3N6O2 — CID 176648399

IUPAC2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncccn2)c(=O)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C17H15F3N6O2/c1-9(2)13-14-10(4-5-11(23-14)17(18,19)20)15(28)26(25-13)8-12(27)24-16-21-6-3-7-22-16/h3-7,9H,8H2,1-2H3,(H,21,22,24,27)
InChIKeyUWTXDVNDKHKMHP-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.36
Rot. Bonds4

About 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide

2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 176648399) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
PubChem CID176648399
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncccn2)c(=O)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C17H15F3N6O2/c1-9(2)13-14-10(4-5-11(23-14)17(18,19)20)15(28)26(25-13)8-12(27)24-16-21-6-3-7-22-16/h3-7,9H,8H2,1-2H3,(H,21,22,24,27)
InChIKeyUWTXDVNDKHKMHP-UHFFFAOYSA-N
XLogP2.36
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-[4-(1-iodoethyl)-7-methyl-1-oxophthalazin-2-yl]-N-pyrimidin-2-ylacetamide
CID 170369273
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
2-[2-(1,1-difluoroethyl)-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl]-N-(6-imino-1-methanimidoylpyridazin-3-yl)acetamide
CID 166454632
ethyl 2-[2-(1,1-difluoroethyl)-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl]acetate
CID 166454588
2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
CID 168980033
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162731803
N-(3-methylbenzimidazol-5-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364067
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
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(3,6-difluoro-2-pyridinyl)acetamide
CID 170318430

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide (CID 176648399) is 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide is CC(C)c1nn(CC(=O)Nc2ncccn2)c(=O)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is UWTXDVNDKHKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-9(2)13-14-10(4-5-11(23-14)17(18,19)20)15(28)26(25-13)8-12(27)24-16-21-6-3-7-22-16/h3-7,9H,8H2,1-2H3,(H,21,22,24,27).
What are the key properties of 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide?
2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 392.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 176648399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).