2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide

C19H15F6N5O2 — CID 162364299

IUPAC2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc(C(F)(F)F)nn2)c(=O)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H15F6N5O2/c1-9(2)16-12-7-10(18(20,21)22)3-4-11(12)17(32)30(29-16)8-15(31)26-14-6-5-13(27-28-14)19(23,24)25/h3-7,9H,8H2,1-2H3,(H,26,28,31)
InChIKeyPEOMGKSJNMTRRG-UHFFFAOYSA-N
MW459.35 g/mol
LogP3.99
Rot. Bonds4

About 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide

2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide (PubChem CID 162364299) has the molecular formula C19H15F6N5O2 and a molecular weight of 459.35 g/mol. Its IUPAC name is 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
PubChem CID162364299
Molecular FormulaC19H15F6N5O2
Molecular Weight459.35 g/mol
Exact Mass459.11
IUPAC Name2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc(C(F)(F)F)nn2)c(=O)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H15F6N5O2/c1-9(2)16-12-7-10(18(20,21)22)3-4-11(12)17(32)30(29-16)8-15(31)26-14-6-5-13(27-28-14)19(23,24)25/h3-7,9H,8H2,1-2H3,(H,26,28,31)
InChIKeyPEOMGKSJNMTRRG-UHFFFAOYSA-N
XLogP3.99
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192
N-(3-methylbenzimidazol-5-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364067
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
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364313
N-(4-hydroxycyclohexyl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363900
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740
N-[3-(2-hydroxypropan-2-yl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363709
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096
2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 162364047
N-[4-[ethyl(2-hydroxypropyl)amino]butan-2-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363918
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162731803

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide (CID 162364299) is 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide is CC(C)c1nn(CC(=O)Nc2ccc(C(F)(F)F)nn2)c(=O)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
The InChIKey is PEOMGKSJNMTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5O2/c1-9(2)16-12-7-10(18(20,21)22)3-4-11(12)17(32)30(29-16)8-15(31)26-14-6-5-13(27-28-14)19(23,24)25/h3-7,9H,8H2,1-2H3,(H,26,28,31).
What are the key properties of 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide has a molecular weight of 459.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 162364299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).