N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

C174H153ClF16N46O27S9 — CID 167665065

IUPACN-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4C)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(=O)[nH]c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C(C)(C)C)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C(C)C)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C)nc4OC)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(OC)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(SC)nc4)cc23)c1F
InChIInChI=1S/C24H24F2N6O3S.C23H22F2N6O3S.C22H20F2N6O4S.C22H19F2N5O3S.C21H16ClF2N5O3S.C21H18F2N6O4S.C21H18F2N6O3S2.C20H16F2N6O4S/c1-5-8-36(34,35)32-20-17(25)7-6-15(18(20)26)21(33)19-16-9-13(10-27-22(16)31-30-19)14-11-28-23(29-12-14)24(2,3)4;1-4-7-35(33,34)31-20-17(24)6-5-15(18(20)25)21(32)19-16-8-13(9-28-23(16)30-29-19)14-10-26-22(12(2)3)27-11-14;1-4-7-35(32,33)30-19-16(23)6-5-13(17(19)24)20(31)18-14-8-12(9-26-21(14)29-28-18)15-10-25-11(2)27-22(15)34-3;1-3-8-33(31,32)29-20-17(23)5-4-15(18(20)24)21(30)19-16-9-13(11-26-22(16)28-27-19)14-6-7-25-10-12(14)2;1-2-7-33(31,32)29-19-16(23)4-3-13(17(19)24)20(30)18-14-8-11(9-26-21(14)28-27-18)12-5-6-25-10-15(12)22;2*1-3-6-34(31,32)29-18-15(22)5-4-13(16(18)23)19(30)17-14-7-11(8-24-20(14)28-27-17)12-9-25-21(33-2)26-10-12;1-2-5-33(31,32)28-17-14(21)4-3-12(15(17)22)18(29)16-13-6-10(7-23-19(13)27-26-16)11-8-24-20(30)25-9-11/h6-7,9-12,32H,5,8H2,1-4H3,(H,27,30,31);5-6,8-12,31H,4,7H2,1-3H3,(H,28,29,30);5-6,8-10,30H,4,7H2,1-3H3,(H,26,28,29);4-7,9-11,29H,3,8H2,1-2H3,(H,26,27,28);3-6,8-10,29H,2,7H2,1H3,(H,26,27,28);2*4-5,7-10,29H,3,6H2,1-2H3,(H,24,27,28);3-4,6-9,28H,2,5H2,1H3,(H,23,26,27)(H,24,25,30)
InChIKeySMYLTIQZECKBMN-UHFFFAOYSA-N
MW3948.46 g/mol
LogP29.54
Rot. Bonds60

About N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 167665065) has the molecular formula C174H153ClF16N46O27S9 and a molecular weight of 3948.46 g/mol. Its IUPAC name is N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID167665065
Molecular FormulaC174H153ClF16N46O27S9
Molecular Weight3948.46 g/mol
Exact Mass3944.89
IUPAC NameN-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4C)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(=O)[nH]c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C(C)(C)C)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C(C)C)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C)nc4OC)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(OC)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(SC)nc4)cc23)c1F
InChIInChI=1S/C24H24F2N6O3S.C23H22F2N6O3S.C22H20F2N6O4S.C22H19F2N5O3S.C21H16ClF2N5O3S.C21H18F2N6O4S.C21H18F2N6O3S2.C20H16F2N6O4S/c1-5-8-36(34,35)32-20-17(25)7-6-15(18(20)26)21(33)19-16-9-13(10-27-22(16)31-30-19)14-11-28-23(29-12-14)24(2,3)4;1-4-7-35(33,34)31-20-17(24)6-5-15(18(20)25)21(32)19-16-8-13(9-28-23(16)30-29-19)14-10-26-22(12(2)3)27-11-14;1-4-7-35(32,33)30-19-16(23)6-5-13(17(19)24)20(31)18-14-8-12(9-26-21(14)29-28-18)15-10-25-11(2)27-22(15)34-3;1-3-8-33(31,32)29-20-17(23)5-4-15(18(20)24)21(30)19-16-9-13(11-26-22(16)28-27-19)14-6-7-25-10-12(14)2;1-2-7-33(31,32)29-19-16(23)4-3-13(17(19)24)20(30)18-14-8-11(9-26-21(14)28-27-18)12-5-6-25-10-15(12)22;2*1-3-6-34(31,32)29-18-15(22)5-4-13(16(18)23)19(30)17-14-7-11(8-24-20(14)28-27-17)12-9-25-21(33-2)26-10-12;1-2-5-33(31,32)28-17-14(21)4-3-12(15(17)22)18(29)16-13-6-10(7-23-19(13)27-26-16)11-8-24-20(30)25-9-11/h6-7,9-12,32H,5,8H2,1-4H3,(H,27,30,31);5-6,8-12,31H,4,7H2,1-3H3,(H,28,29,30);5-6,8-10,30H,4,7H2,1-3H3,(H,26,28,29);4-7,9-11,29H,3,8H2,1-2H3,(H,26,27,28);3-6,8-10,29H,2,7H2,1H3,(H,26,27,28);2*4-5,7-10,29H,3,6H2,1-2H3,(H,24,27,28);3-4,6-9,28H,2,5H2,1H3,(H,23,26,27)(H,24,25,30)
InChIKeySMYLTIQZECKBMN-UHFFFAOYSA-N
XLogP29.54
TPSA1057.37 Ų
H-Bond Donors17
H-Bond Acceptors57
Rotatable Bonds60
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003948.46
LogP ≤ 529.54
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Analyze N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (CID 167665065) is N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4C)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(=O)[nH]c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C(C)(C)C)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C(C)C)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(C)nc4OC)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(OC)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4cnc(SC)nc4)cc23)c1F.
What is the InChIKey of N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is SMYLTIQZECKBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3S.C23H22F2N6O3S.C22H20F2N6O4S.C22H19F2N5O3S.C21H16ClF2N5O3S.C21H18F2N6O4S.C21H18F2N6O3S2.C20H16F2N6O4S/c1-5-8-36(34,35)32-20-17(25)7-6-15(18(20)26)21(33)19-16-9-13(10-27-22(16)31-30-19)14-11-28-23(29-12-14)24(2,3)4;1-4-7-35(33,34)31-20-17(24)6-5-15(18(20)25)21(32)19-16-8-13(9-28-23(16)30-29-19)14-10-26-22(12(2)3)27-11-14;1-4-7-35(32,33)30-19-16(23)6-5-13(17(19)24)20(31)18-14-8-12(9-26-21(14)29-28-18)15-10-25-11(2)27-22(15)34-3;1-3-8-33(31,32)29-20-17(23)5-4-15(18(20)24)21(30)19-16-9-13(11-26-22(16)28-27-19)14-6-7-25-10-12(14)2;1-2-7-33(31,32)29-19-16(23)4-3-13(17(19)24)20(30)18-14-8-11(9-26-21(14)28-27-18)12-5-6-25-10-15(12)22;2*1-3-6-34(31,32)29-18-15(22)5-4-13(16(18)23)19(30)17-14-7-11(8-24-20(14)28-27-17)12-9-25-21(33-2)26-10-12;1-2-5-33(31,32)28-17-14(21)4-3-12(15(17)22)18(29)16-13-6-10(7-23-19(13)27-26-16)11-8-24-20(30)25-9-11/h6-7,9-12,32H,5,8H2,1-4H3,(H,27,30,31);5-6,8-12,31H,4,7H2,1-3H3,(H,28,29,30);5-6,8-10,30H,4,7H2,1-3H3,(H,26,28,29);4-7,9-11,29H,3,8H2,1-2H3,(H,26,27,28);3-6,8-10,29H,2,7H2,1H3,(H,26,27,28);2*4-5,7-10,29H,3,6H2,1-2H3,(H,24,27,28);3-4,6-9,28H,2,5H2,1H3,(H,23,26,27)(H,24,25,30).
What are the key properties of N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 3948.46 g/mol, XLogP of 29.54, 60 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-tert-butylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-methoxy-2-methylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(3-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylsulfanylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-oxo-1H-pyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-propan-2-ylpyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 167665065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).