2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide

C19H11F5N6O3 — CID 71812186

IUPAC2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
SMILESCn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)n2)oc1=O
InChIInChI=1S/C19H11F5N6O3/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)14-6-5-9(8-25-14)26-16(31)15-10(20)3-2-4-11(15)21/h2-8H,1H3,(H,26,31)
InChIKeyIZUDTMPPIYNGSB-UHFFFAOYSA-N
MW466.33 g/mol
LogP3.17
Rot. Bonds4

About 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide

2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (PubChem CID 71812186) has the molecular formula C19H11F5N6O3 and a molecular weight of 466.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
PubChem CID71812186
Molecular FormulaC19H11F5N6O3
Molecular Weight466.33 g/mol
Exact Mass466.08
IUPAC Name2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
SMILESCn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)n2)oc1=O
InChIInChI=1S/C19H11F5N6O3/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)14-6-5-9(8-25-14)26-16(31)15-10(20)3-2-4-11(15)21/h2-8H,1H3,(H,26,31)
InChIKeyIZUDTMPPIYNGSB-UHFFFAOYSA-N
XLogP3.17
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763409
3-amino-N-[6-[3-(4H-azepin-6-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
CID 143484546
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
N-[6-(7-cyclopropyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763752
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
ethyl 3-[1-[5-[(2-chloro-6-fluorophenyl)methylamino]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 129050429
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821285
N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide
CID 143483785
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
2,3,4-trifluoro-N-[5-[5-(fluoromethyl)-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-2-pyridinyl]benzamide
CID 118031101
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 58486951

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (CID 71812186) is 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide is Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)n2)oc1=O.
What is the InChIKey of 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The InChIKey is IZUDTMPPIYNGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N6O3/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)14-6-5-9(8-25-14)26-16(31)15-10(20)3-2-4-11(15)21/h2-8H,1H3,(H,26,31).
What are the key properties of 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide has a molecular weight of 466.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 71812186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).