N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide

C19H16F5N5O2 — CID 163219078

IUPACN-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
SMILESCC(C)n1nc(CC(=O)Nc2ccc(C(F)F)nn2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H16F5N5O2/c1-9(2)29-14-7-10(19(22,23)24)3-4-11(14)17(31)13(28-29)8-16(30)25-15-6-5-12(18(20)21)26-27-15/h3-7,9,18H,8H2,1-2H3,(H,25,27,30)
InChIKeyJABNXQGUXVIURL-UHFFFAOYSA-N
MW441.36 g/mol
LogP3.90
Rot. Bonds5

About N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide

N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide (PubChem CID 163219078) has the molecular formula C19H16F5N5O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
PubChem CID163219078
Molecular FormulaC19H16F5N5O2
Molecular Weight441.36 g/mol
Exact Mass441.12
IUPAC NameN-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
SMILESCC(C)n1nc(CC(=O)Nc2ccc(C(F)F)nn2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H16F5N5O2/c1-9(2)29-14-7-10(19(22,23)24)3-4-11(14)17(31)13(28-29)8-16(30)25-15-6-5-12(18(20)21)26-27-15/h3-7,9,18H,8H2,1-2H3,(H,25,27,30)
InChIKeyJABNXQGUXVIURL-UHFFFAOYSA-N
XLogP3.90
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163219185
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192
2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 163219141
2-(7-chloro-4-oxo-1-propan-2-ylcinnolin-3-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 163218915
N-(6-amino-1-methanimidoylpyridin-1-ium-3-yl)-2-[1-butan-2-yl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163218920
2-(7-bromo-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
CID 163204502
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
2-[1-ethyl-7-(2-fluoropropan-2-yl)-4-oxocinnolin-3-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 163219164
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
methyl 2-[1-ethyl-7-(2-fluoropropan-2-yl)-4-oxocinnolin-3-yl]acetate
CID 163219127
N-[6-chloro-2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 90708841

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The IUPAC name of N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide (CID 163219078) is N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide.
What is the SMILES notation for N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The canonical SMILES for N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide is CC(C)n1nc(CC(=O)Nc2ccc(C(F)F)nn2)c(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The InChIKey is JABNXQGUXVIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N5O2/c1-9(2)29-14-7-10(19(22,23)24)3-4-11(14)17(31)13(28-29)8-16(30)25-15-6-5-12(18(20)21)26-27-15/h3-7,9,18H,8H2,1-2H3,(H,25,27,30).
What are the key properties of N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide has a molecular weight of 441.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 163219078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).