6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide

C151H121Cl2F21N42O33S8 — CID 162138924

IUPAC6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCC(C)Oc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(NS(=O)(=O)CC4CC4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)C4CC4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cn(C)cn4)c3F)cc12
InChIInChI=1S/C21H13ClF5N5O4S.2C20H14F3N5O4S.C19H20F3N5O4S.C18H17ClFN5O4S.C18H15F2N7O4S.C18H13F2N5O5S.C17H15F2N5O4S/c1-36-20-11-6-9(8-28-18(11)30-31-20)29-19(33)16-14(23)4-5-15(17(16)24)32-37(34,35)10-2-3-13(22)12(7-10)21(25,26)27;1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)6-7-15(17(16)23)28-33(30,31)12-4-2-10(21)3-5-12;1-32-20-11-8-10(9-24-18(11)26-27-20)25-19(29)16-13(22)6-7-14(17(16)23)28-33(30,31)15-5-3-2-4-12(15)21;1-10(2)31-19-12-8-11(9-23-17(12)25-26-19)24-18(28)15-13(21)4-5-14(16(15)22)27-32(29,30)7-3-6-20;1-29-18-11-6-10(7-21-16(11)23-24-18)22-17(26)14-12(19)4-5-13(15(14)20)25-30(27,28)8-9-2-3-9;1-27-7-13(22-8-27)32(29,30)26-12-4-3-11(19)14(15(12)20)17(28)23-9-5-10-16(21-6-9)24-25-18(10)31-2;1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13;1-28-17-10-6-8(7-20-15(10)22-23-17)21-16(25)13-11(18)4-5-12(14(13)19)24-29(26,27)9-2-3-9/h2-8,32H,1H3,(H,29,33)(H,28,30,31);2*2-9,28H,1H3,(H,25,29)(H,24,26,27);4-5,8-10,27H,3,6-7H2,1-2H3,(H,24,28)(H,23,25,26);4-7,9,25H,2-3,8H2,1H3,(H,22,26)(H,21,23,24);3-8,26H,1-2H3,(H,23,28)(H,21,24,25);2-8,25H,1H3,(H,22,26)(H,21,23,24);4-7,9,24H,2-3H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyZJRBLODDEXPUBE-UHFFFAOYSA-N
MW3778.29 g/mol
LogP25.71
Rot. Bonds52

About 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide

6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide (PubChem CID 162138924) has the molecular formula C151H121Cl2F21N42O33S8 and a molecular weight of 3778.29 g/mol. Its IUPAC name is 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide
PubChem CID162138924
Molecular FormulaC151H121Cl2F21N42O33S8
Molecular Weight3778.29 g/mol
Exact Mass3774.59
IUPAC Name6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCC(C)Oc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(NS(=O)(=O)CC4CC4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)C4CC4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cn(C)cn4)c3F)cc12
InChIInChI=1S/C21H13ClF5N5O4S.2C20H14F3N5O4S.C19H20F3N5O4S.C18H17ClFN5O4S.C18H15F2N7O4S.C18H13F2N5O5S.C17H15F2N5O4S/c1-36-20-11-6-9(8-28-18(11)30-31-20)29-19(33)16-14(23)4-5-15(17(16)24)32-37(34,35)10-2-3-13(22)12(7-10)21(25,26)27;1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)6-7-15(17(16)23)28-33(30,31)12-4-2-10(21)3-5-12;1-32-20-11-8-10(9-24-18(11)26-27-20)25-19(29)16-13(22)6-7-14(17(16)23)28-33(30,31)15-5-3-2-4-12(15)21;1-10(2)31-19-12-8-11(9-23-17(12)25-26-19)24-18(28)15-13(21)4-5-14(16(15)22)27-32(29,30)7-3-6-20;1-29-18-11-6-10(7-21-16(11)23-24-18)22-17(26)14-12(19)4-5-13(15(14)20)25-30(27,28)8-9-2-3-9;1-27-7-13(22-8-27)32(29,30)26-12-4-3-11(19)14(15(12)20)17(28)23-9-5-10-16(21-6-9)24-25-18(10)31-2;1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13;1-28-17-10-6-8(7-20-15(10)22-23-17)21-16(25)13-11(18)4-5-12(14(13)19)24-29(26,27)9-2-3-9/h2-8,32H,1H3,(H,29,33)(H,28,30,31);2*2-9,28H,1H3,(H,25,29)(H,24,26,27);4-5,8-10,27H,3,6-7H2,1-2H3,(H,24,28)(H,23,25,26);4-7,9,25H,2-3,8H2,1H3,(H,22,26)(H,21,23,24);3-8,26H,1-2H3,(H,23,28)(H,21,24,25);2-8,25H,1H3,(H,22,26)(H,21,23,24);4-7,9,24H,2-3H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyZJRBLODDEXPUBE-UHFFFAOYSA-N
XLogP25.71
TPSA1039.52 Ų
H-Bond Donors24
H-Bond Acceptors51
Rotatable Bonds52
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003778.29
LogP ≤ 525.71
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1051

Analyze 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide (CID 162138924) is 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide is CC(C)Oc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(NS(=O)(=O)CC4CC4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)C4CC4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12.COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cn(C)cn4)c3F)cc12.
What is the InChIKey of 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
The InChIKey is ZJRBLODDEXPUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF5N5O4S.2C20H14F3N5O4S.C19H20F3N5O4S.C18H17ClFN5O4S.C18H15F2N7O4S.C18H13F2N5O5S.C17H15F2N5O4S/c1-36-20-11-6-9(8-28-18(11)30-31-20)29-19(33)16-14(23)4-5-15(17(16)24)32-37(34,35)10-2-3-13(22)12(7-10)21(25,26)27;1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)6-7-15(17(16)23)28-33(30,31)12-4-2-10(21)3-5-12;1-32-20-11-8-10(9-24-18(11)26-27-20)25-19(29)16-13(22)6-7-14(17(16)23)28-33(30,31)15-5-3-2-4-12(15)21;1-10(2)31-19-12-8-11(9-23-17(12)25-26-19)24-18(28)15-13(21)4-5-14(16(15)22)27-32(29,30)7-3-6-20;1-29-18-11-6-10(7-21-16(11)23-24-18)22-17(26)14-12(19)4-5-13(15(14)20)25-30(27,28)8-9-2-3-9;1-27-7-13(22-8-27)32(29,30)26-12-4-3-11(19)14(15(12)20)17(28)23-9-5-10-16(21-6-9)24-25-18(10)31-2;1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13;1-28-17-10-6-8(7-20-15(10)22-23-17)21-16(25)13-11(18)4-5-12(14(13)19)24-29(26,27)9-2-3-9/h2-8,32H,1H3,(H,29,33)(H,28,30,31);2*2-9,28H,1H3,(H,25,29)(H,24,26,27);4-5,8-10,27H,3,6-7H2,1-2H3,(H,24,28)(H,23,25,26);4-7,9,25H,2-3,8H2,1H3,(H,22,26)(H,21,23,24);3-8,26H,1-2H3,(H,23,28)(H,21,24,25);2-8,25H,1H3,(H,22,26)(H,21,23,24);4-7,9,24H,2-3H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide has a molecular weight of 3778.29 g/mol, XLogP of 25.71, 52 rotatable bonds, 24 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;3-(cyclopropylsulfonylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(2-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(3-propan-2-yloxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide;2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[(1-methylimidazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 162138924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).