N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide

C23H13F4N7O3 — CID 162516342

IUPACN-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2nccn3c(C(F)(F)F)nnc23)c(F)c1)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C23H13F4N7O3/c24-15-12-13(29-20(36)18-16(35)8-10-34(32-18)14-4-2-1-3-5-14)6-7-17(15)37-21-19-30-31-22(23(25,26)27)33(19)11-9-28-21/h1-12H,(H,29,36)
InChIKeyJSMURADAUWBQKC-UHFFFAOYSA-N
MW511.40 g/mol
LogP3.87
Rot. Bonds5

About N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide

N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 162516342) has the molecular formula C23H13F4N7O3 and a molecular weight of 511.40 g/mol. Its IUPAC name is N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID162516342
Molecular FormulaC23H13F4N7O3
Molecular Weight511.40 g/mol
Exact Mass511.10
IUPAC NameN-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2nccn3c(C(F)(F)F)nnc23)c(F)c1)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C23H13F4N7O3/c24-15-12-13(29-20(36)18-16(35)8-10-34(32-18)14-4-2-1-3-5-14)6-7-17(15)37-21-19-30-31-22(23(25,26)27)33(19)11-9-28-21/h1-12H,(H,29,36)
InChIKeyJSMURADAUWBQKC-UHFFFAOYSA-N
XLogP3.87
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide with MolForge

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-[3-fluoro-4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]phenyl]-4-oxopyridazine-3-carboxamide
CID 162516338
N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 178130115
1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 1481276
N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 118203847
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73058453
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
N-[3-fluoro-4-[(2-oxo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-2-(trifluoromethyl)benzamide
CID 166545568
N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 167269585
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693130
N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481090
4-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 63951618

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide (CID 162516342) is N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide is O=C(Nc1ccc(Oc2nccn3c(C(F)(F)F)nnc23)c(F)c1)c1nn(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is JSMURADAUWBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F4N7O3/c24-15-12-13(29-20(36)18-16(35)8-10-34(32-18)14-4-2-1-3-5-14)6-7-17(15)37-21-19-30-31-22(23(25,26)27)33(19)11-9-28-21/h1-12H,(H,29,36).
What are the key properties of N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 511.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]oxy]phenyl]-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 162516342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).