About 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163901508) has the molecular formula C135H153F5N26O22S6
and a molecular weight of 2779.26 g/mol. Its IUPAC name is 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 163901508) is 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cccc(C(C)(C)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CC(C)n1nc(-c2cccc(C3CC3)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.CC(F)COc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cc(C#N)c23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)n1.CC(F)Oc1cncc(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.
What is the InChIKey of 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is QKGOJHCCNQXSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S.C23H27FN4O4S.C23H27FN4O3S.C23H26N4O3S.2C21H24FN5O4S/c1-14(2)29-20-10-17(23(30)27-24(4)12-34(31,32)13-24)8-18(11-26)21(20)22(28-29)16-6-5-7-19(9-16)33-15(3)25;1-14(2)28-19-9-17(22(29)26-23(4)12-33(30,31)13-23)10-25-21(19)20(27-28)16-6-5-7-18(8-16)32-11-15(3)24;1-14(2)28-18-10-16(21(29)26-23(5)12-32(30,31)13-23)11-25-20(18)19(27-28)15-7-6-8-17(9-15)22(3,4)24;1-14(2)27-19-10-18(22(28)25-23(3)12-31(29,30)13-23)11-24-21(19)20(26-27)17-6-4-5-16(9-17)15-7-8-15;1-12(2)27-17-6-15(20(28)25-21(4)10-32(29,30)11-21)8-24-19(17)18(26-27)14-5-16(9-23-7-14)31-13(3)22;1-12(2)27-16-8-14(20(28)25-21(4)10-32(29,30)11-21)9-23-19(16)18(26-27)15-6-5-7-17(24-15)31-13(3)22/h5-10,14-15H,12-13H2,1-4H3,(H,27,30);5-10,14-15H,11-13H2,1-4H3,(H,26,29);6-11,14H,12-13H2,1-5H3,(H,26,29);4-6,9-11,14-15H,7-8,12-13H2,1-3H3,(H,25,28);2*5-9,12-13H,10-11H2,1-4H3,(H,25,28).
What are the key properties of 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 2779.26 g/mol, XLogP of 19.74, 35 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163901508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).