N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide

C17H16F3N5O4S2 — CID 146412563

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C(=O)N=S(C)(C)=O)cnc1-n1cc2ncc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H16F3N5O4S2/c1-4-31(28,29)14-5-10(16(26)24-30(2,3)27)7-22-15(14)25-9-13-12(23-25)6-11(8-21-13)17(18,19)20/h5-9H,4H2,1-3H3
InChIKeyHGAQKXLAMNCRRF-UHFFFAOYSA-N
MW475.47 g/mol
LogP2.50
Rot. Bonds4

About N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 146412563) has the molecular formula C17H16F3N5O4S2 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID146412563
Molecular FormulaC17H16F3N5O4S2
Molecular Weight475.47 g/mol
Exact Mass475.06
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C(=O)N=S(C)(C)=O)cnc1-n1cc2ncc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H16F3N5O4S2/c1-4-31(28,29)14-5-10(16(26)24-30(2,3)27)7-22-15(14)25-9-13-12(23-25)6-11(8-21-13)17(18,19)20/h5-9H,4H2,1-3H3
InChIKeyHGAQKXLAMNCRRF-UHFFFAOYSA-N
XLogP2.50
TPSA124.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-ethylsulfonyl-5-(3-fluoro-5-methylphenyl)-2-pyridinyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
CID 157487655
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
2-[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 138472892
ethyl 5-ethylsulfonyl-6-[3-oxo-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]pyridine-3-carboxylate
CID 155685797
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide
CID 142465539
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 118871958
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoyl chloride
CID 90382210
2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)indazole
CID 72704062
3-ethylsulfonyl-2-[4-(2,2,3,3,4,4,4-heptafluorobutoxy)-3,5-dimethylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
CID 156732763
3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118299006
N-(diethyl-λ4-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide
CID 146403236
3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118533945

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide (CID 146412563) is N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide is CCS(=O)(=O)c1cc(C(=O)N=S(C)(C)=O)cnc1-n1cc2ncc(C(F)(F)F)cc2n1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is HGAQKXLAMNCRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O4S2/c1-4-31(28,29)14-5-10(16(26)24-30(2,3)27)7-22-15(14)25-9-13-12(23-25)6-11(8-21-13)17(18,19)20/h5-9H,4H2,1-3H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146412563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).