N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C19H9F4N7O6 — CID 67435027

IUPACN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1cc(-n2c(-c3nonc3NC(=O)c3ccncc3)noc2=O)ccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H8FN7O4.C2HF3O2/c18-12-2-1-11(7-10(12)8-19)25-15(24-28-17(25)27)13-14(23-29-22-13)21-16(26)9-3-5-20-6-4-9;3-2(4,5)1(6)7/h1-7H,(H,21,23,26);(H,6,7)
InChIKeyZPYAVQKKPMIVSR-UHFFFAOYSA-N
MW507.32 g/mol
LogP2.17
Rot. Bonds4

About N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67435027) has the molecular formula C19H9F4N7O6 and a molecular weight of 507.32 g/mol. Its IUPAC name is N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67435027
Molecular FormulaC19H9F4N7O6
Molecular Weight507.32 g/mol
Exact Mass507.06
IUPAC NameN-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1cc(-n2c(-c3nonc3NC(=O)c3ccncc3)noc2=O)ccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H8FN7O4.C2HF3O2/c18-12-2-1-11(7-10(12)8-19)25-15(24-28-17(25)27)13-14(23-29-22-13)21-16(26)9-3-5-20-6-4-9;3-2(4,5)1(6)7/h1-7H,(H,21,23,26);(H,6,7)
InChIKeyZPYAVQKKPMIVSR-UHFFFAOYSA-N
XLogP2.17
TPSA190.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide
CID 67435028
N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 87399404
3-[4-(3-aminopropylamino)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one;2,2,2-trifluoroacetic acid
CID 66605856
tert-butyl N-[2-[[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
CID 129260813
3-[4-(2-azidoethylamino)-1,2,5-oxadiazol-3-yl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
CID 89105592
N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 130254783
3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]-N-[dimethyl(oxo)-λ6-sulfanylidene]propanamide
CID 134454281
4-(3-bromo-4-fluorophenyl)-3-[4-(4-hydroxybutoxyamino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 156664150
2-[3-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]propyl]guanidine
CID 146427741
4-(3-chloro-4-fluorophenyl)-3-[4-(2-hydroxyethyl)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 58941786
N-[4-[(E)-(3-chloroanilino)oxyiminomethyl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 88547057
CID 160937538
CID 160937538

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 67435027) is N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is N#Cc1cc(-n2c(-c3nonc3NC(=O)c3ccncc3)noc2=O)ccc1F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZPYAVQKKPMIVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8FN7O4.C2HF3O2/c18-12-2-1-11(7-10(12)8-19)25-15(24-28-17(25)27)13-14(23-29-22-13)21-16(26)9-3-5-20-6-4-9;3-2(4,5)1(6)7/h1-7H,(H,21,23,26);(H,6,7).
What are the key properties of N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 507.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyano-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67435027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).