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

C17H10F6N4O — CID 58487089

IUPAC2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)c(F)c1
InChIInChI=1S/C17H10F6N4O/c1-27-12(6-13(26-27)17(21,22)23)8-5-11(20)15(24-7-8)25-16(28)14-9(18)3-2-4-10(14)19/h2-7H,1H3,(H,24,25,28)
InChIKeyJFWLMELAJDXISX-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.17
Rot. Bonds3

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

2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 58487089) has the molecular formula C17H10F6N4O and a molecular weight of 400.28 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
PubChem CID58487089
Molecular FormulaC17H10F6N4O
Molecular Weight400.28 g/mol
Exact Mass400.08
IUPAC Name2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)c(F)c1
InChIInChI=1S/C17H10F6N4O/c1-27-12(6-13(26-27)17(21,22)23)8-5-11(20)15(24-7-8)25-16(28)14-9(18)3-2-4-10(14)19/h2-7H,1H3,(H,24,25,28)
InChIKeyJFWLMELAJDXISX-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (CID 58487089) is 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)c(F)c1.
What is the InChIKey of 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is JFWLMELAJDXISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O/c1-27-12(6-13(26-27)17(21,22)23)8-5-11(20)15(24-7-8)25-16(28)14-9(18)3-2-4-10(14)19/h2-7H,1H3,(H,24,25,28).
What are the key properties of 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 400.28 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58487089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).