About N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide (PubChem CID 158867199) has the molecular formula C109H114Cl2F9N31O20S9
and a molecular weight of 2708.80 g/mol. Its IUPAC name is N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide.
Frequently Asked Questions
What is the IUPAC name of N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide (CID 158867199) is N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide is CCCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCC)c3F)cc12.CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(SC)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(SCC)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N4CCCC4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(C(C)=O)c3c2)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cnc3[nH]nc(SC)c3c2)c1F.
What is the InChIKey of N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide?
The InChIKey is JBJRHFMLAYTMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O3S.C19H21F2N5O4S.C18H19ClFN5O3S2.C18H17F2N5O4S.C17H17ClFN5O3S2.C17H18FN5O3S2/c1-2-9-32(30,31)27-15-6-5-14(21)16(17(15)22)20(29)24-12-10-13-18(23-11-12)25-26-19(13)28-7-3-4-8-28;1-3-7-30-19-12-9-11(10-22-17(12)24-25-19)23-18(27)15-13(20)5-6-14(16(15)21)26-31(28,29)8-4-2;1-3-7-30(27,28)25-13-6-5-12(19)14(15(13)20)17(26)22-10-8-11-16(21-9-10)23-24-18(11)29-4-2;1-3-6-30(28,29)25-13-5-4-12(19)14(15(13)20)18(27)22-10-7-11-16(9(2)26)23-24-17(11)21-8-10;1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2;1-3-7-28(25,26)23-13-6-4-5-11(14(13)18)16(24)20-10-8-12-15(19-9-10)21-22-17(12)27-2/h5-6,10-11,27H,2-4,7-9H2,1H3,(H,24,29)(H,23,25,26);5-6,9-10,26H,3-4,7-8H2,1-2H3,(H,23,27)(H,22,24,25);5-6,8-9,25H,3-4,7H2,1-2H3,(H,22,26)(H,21,23,24);4-5,7-8,25H,3,6H2,1-2H3,(H,22,27)(H,21,23,24);4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23);4-6,8-9,23H,3,7H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide?
N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide has a molecular weight of 2708.80 g/mol, XLogP of 20.88, 45 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;6-chloro-N-(3-ethylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-(3-propoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 158867199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).