6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C142H136ClF10IN24O20S6 — CID 158678866

IUPAC6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4cccc(OCCN(C)C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C#CCN(C)C)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C#CCO)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F
InChIInChI=1S/C28H30F2N4O4S.C26H23ClFN5O3S.C26H24FN5O3S.C23H24F2N4O3S.C21H19F2N3O4S.C18H16F2IN3O3S/c1-4-12-39(36,37)33-23-9-8-22(29)26(27(23)30)25(35)14-18-13-20-16-24(32-28(20)31-17-18)19-6-5-7-21(15-19)38-11-10-34(2)3;1-3-10-37(35,36)32-20-6-5-19(27)23(24(20)28)26(34)30-18-12-17-13-21(31-25(17)29-14-18)15-4-7-22-16(11-15)8-9-33(22)2;1-3-11-36(34,35)31-21-6-4-5-20(24(21)27)26(33)29-19-13-18-14-22(30-25(18)28-15-19)16-7-8-23-17(12-16)9-10-32(23)2;1-4-10-33(31,32)28-19-8-7-18(24)21(22(19)25)20(30)12-15-11-16-13-17(6-5-9-29(2)3)27-23(16)26-14-15;1-2-8-31(29,30)26-17-6-5-16(22)19(20(17)23)18(28)10-13-9-14-11-15(4-3-7-27)25-21(14)24-12-13;1-2-5-28(26,27)24-13-4-3-12(19)16(17(13)20)14(25)7-10-6-11-8-15(21)23-18(11)22-9-10/h5-9,13,15-17,33H,4,10-12,14H2,1-3H3,(H,31,32);4-9,11-14,32H,3,10H2,1-2H3,(H,29,31)(H,30,34);4-10,12-15,31H,3,11H2,1-2H3,(H,28,30)(H,29,33);7-8,11,13-14,28H,4,9-10,12H2,1-3H3,(H,26,27);5-6,9,11-12,26-27H,2,7-8,10H2,1H3,(H,24,25);3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23)
InChIKeyIEWBWCYLEUKIQW-UHFFFAOYSA-N
MW3043.54 g/mol
LogP26.32
Rot. Bonds48

About 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 158678866) has the molecular formula C142H136ClF10IN24O20S6 and a molecular weight of 3043.54 g/mol. Its IUPAC name is 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
PubChem CID158678866
Molecular FormulaC142H136ClF10IN24O20S6
Molecular Weight3043.54 g/mol
Exact Mass3040.73
IUPAC Name6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4cccc(OCCN(C)C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C#CCN(C)C)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C#CCO)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F
InChIInChI=1S/C28H30F2N4O4S.C26H23ClFN5O3S.C26H24FN5O3S.C23H24F2N4O3S.C21H19F2N3O4S.C18H16F2IN3O3S/c1-4-12-39(36,37)33-23-9-8-22(29)26(27(23)30)25(35)14-18-13-20-16-24(32-28(20)31-17-18)19-6-5-7-21(15-19)38-11-10-34(2)3;1-3-10-37(35,36)32-20-6-5-19(27)23(24(20)28)26(34)30-18-12-17-13-21(31-25(17)29-14-18)15-4-7-22-16(11-15)8-9-33(22)2;1-3-11-36(34,35)31-21-6-4-5-20(24(21)27)26(33)29-19-13-18-14-22(30-25(18)28-15-19)16-7-8-23-17(12-16)9-10-32(23)2;1-4-10-33(31,32)28-19-8-7-18(24)21(22(19)25)20(30)12-15-11-16-13-17(6-5-9-29(2)3)27-23(16)26-14-15;1-2-8-31(29,30)26-17-6-5-16(22)19(20(17)23)18(28)10-13-9-14-11-15(4-3-7-27)25-21(14)24-12-13;1-2-5-28(26,27)24-13-4-3-12(19)16(17(13)20)14(25)7-10-6-11-8-15(21)23-18(11)22-9-10/h5-9,13,15-17,33H,4,10-12,14H2,1-3H3,(H,31,32);4-9,11-14,32H,3,10H2,1-2H3,(H,29,31)(H,30,34);4-10,12-15,31H,3,11H2,1-2H3,(H,28,30)(H,29,33);7-8,11,13-14,28H,4,9-10,12H2,1-3H3,(H,26,27);5-6,9,11-12,26-27H,2,7-8,10H2,1H3,(H,24,25);3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23)
InChIKeyIEWBWCYLEUKIQW-UHFFFAOYSA-N
XLogP26.32
TPSA621.38 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.54
LogP ≤ 526.32
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 158678866) is 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4cccc(OCCN(C)C)c4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C#CCN(C)C)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C#CCO)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1F.CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cnc3[nH]c(-c4ccc5c(ccn5C)c4)cc3c2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is IEWBWCYLEUKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O4S.C26H23ClFN5O3S.C26H24FN5O3S.C23H24F2N4O3S.C21H19F2N3O4S.C18H16F2IN3O3S/c1-4-12-39(36,37)33-23-9-8-22(29)26(27(23)30)25(35)14-18-13-20-16-24(32-28(20)31-17-18)19-6-5-7-21(15-19)38-11-10-34(2)3;1-3-10-37(35,36)32-20-6-5-19(27)23(24(20)28)26(34)30-18-12-17-13-21(31-25(17)29-14-18)15-4-7-22-16(11-15)8-9-33(22)2;1-3-11-36(34,35)31-21-6-4-5-20(24(21)27)26(33)29-19-13-18-14-22(30-25(18)28-15-19)16-7-8-23-17(12-16)9-10-32(23)2;1-4-10-33(31,32)28-19-8-7-18(24)21(22(19)25)20(30)12-15-11-16-13-17(6-5-9-29(2)3)27-23(16)26-14-15;1-2-8-31(29,30)26-17-6-5-16(22)19(20(17)23)18(28)10-13-9-14-11-15(4-3-7-27)25-21(14)24-12-13;1-2-5-28(26,27)24-13-4-3-12(19)16(17(13)20)14(25)7-10-6-11-8-15(21)23-18(11)22-9-10/h5-9,13,15-17,33H,4,10-12,14H2,1-3H3,(H,31,32);4-9,11-14,32H,3,10H2,1-2H3,(H,29,31)(H,30,34);4-10,12-15,31H,3,11H2,1-2H3,(H,28,30)(H,29,33);7-8,11,13-14,28H,4,9-10,12H2,1-3H3,(H,26,27);5-6,9,11-12,26-27H,2,7-8,10H2,1H3,(H,24,25);3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23).
What are the key properties of 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 3043.54 g/mol, XLogP of 26.32, 48 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(3-hydroxyprop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[2-[3-(dimethylamino)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2-fluoro-N-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 158678866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).