N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

C186H162Cl2F19N45O29S8 — CID 167565282

IUPACN-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C#N)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C(F)(F)F)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C(N)=O)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C)nc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(CCCOC)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(N5CCNCC5)nc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(N5CCOCC5)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4OC)cc23)c1F
InChIInChI=1S/C25H24ClF2N7O3S.C25H24F2N6O4S.C25H25F2N5O4S.C23H21F2N5O5S.C22H18ClF2N5O3S.C22H16F5N5O3S.C22H18F2N6O4S.C22H16F2N6O3S/c1-2-9-39(37,38)34-21-19(27)4-3-15(20(21)28)22(36)18-13-31-24-16(18)10-14(11-30-24)17-12-32-25(33-23(17)26)35-7-5-29-6-8-35;1-2-9-38(35,36)32-22-20(26)4-3-17(21(22)27)23(34)19-14-29-24-18(19)10-15(11-28-24)16-12-30-25(31-13-16)33-5-7-37-8-6-33;1-3-9-37(34,35)32-23-20(26)7-6-17(22(23)27)24(33)19-14-31-25-18(19)10-15(11-30-25)16-12-28-21(29-13-16)5-4-8-36-2;1-4-7-36(32,33)30-19-17(24)6-5-13(18(19)25)20(31)16-11-27-21-14(16)8-12(9-26-21)15-10-28-23(35-3)29-22(15)34-2;1-3-6-34(32,33)30-19-17(24)5-4-13(18(19)25)20(31)16-10-28-22-14(16)7-12(8-27-22)15-9-26-11(2)29-21(15)23;1-2-5-36(34,35)32-18-16(23)4-3-13(17(18)24)19(33)15-10-29-20-14(15)6-11(7-28-20)12-8-30-21(31-9-12)22(25,26)27;1-2-5-35(33,34)30-18-16(23)4-3-13(17(18)24)19(31)15-10-29-21-14(15)6-11(7-26-21)12-8-27-22(20(25)32)28-9-12;1-2-5-34(32,33)30-20-17(23)4-3-14(19(20)24)21(31)16-11-29-22-15(16)6-12(8-28-22)13-9-26-18(7-25)27-10-13/h3-4,10-13,29,34H,2,5-9H2,1H3,(H,30,31);3-4,10-14,32H,2,5-9H2,1H3,(H,28,29);6-7,10-14,32H,3-5,8-9H2,1-2H3,(H,30,31);5-6,8-11,30H,4,7H2,1-3H3,(H,26,27);4-5,7-10,30H,3,6H2,1-2H3,(H,27,28);3-4,6-10,32H,2,5H2,1H3,(H,28,29);3-4,6-10,30H,2,5H2,1H3,(H2,25,32)(H,26,29);3-4,6,8-11,30H,2,5H2,1H3,(H,28,29)
InChIKeyFEUMEFPJKFJTSB-UHFFFAOYSA-N
MW4180.03 g/mol
LogP30.89
Rot. Bonds65

About N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (PubChem CID 167565282) has the molecular formula C186H162Cl2F19N45O29S8 and a molecular weight of 4180.03 g/mol. Its IUPAC name is N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
PubChem CID167565282
Molecular FormulaC186H162Cl2F19N45O29S8
Molecular Weight4180.03 g/mol
Exact Mass4175.94
IUPAC NameN-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C#N)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C(F)(F)F)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C(N)=O)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C)nc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(CCCOC)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(N5CCNCC5)nc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(N5CCOCC5)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4OC)cc23)c1F
InChIInChI=1S/C25H24ClF2N7O3S.C25H24F2N6O4S.C25H25F2N5O4S.C23H21F2N5O5S.C22H18ClF2N5O3S.C22H16F5N5O3S.C22H18F2N6O4S.C22H16F2N6O3S/c1-2-9-39(37,38)34-21-19(27)4-3-15(20(21)28)22(36)18-13-31-24-16(18)10-14(11-30-24)17-12-32-25(33-23(17)26)35-7-5-29-6-8-35;1-2-9-38(35,36)32-22-20(26)4-3-17(21(22)27)23(34)19-14-29-24-18(19)10-15(11-28-24)16-12-30-25(31-13-16)33-5-7-37-8-6-33;1-3-9-37(34,35)32-23-20(26)7-6-17(22(23)27)24(33)19-14-31-25-18(19)10-15(11-30-25)16-12-28-21(29-13-16)5-4-8-36-2;1-4-7-36(32,33)30-19-17(24)6-5-13(18(19)25)20(31)16-11-27-21-14(16)8-12(9-26-21)15-10-28-23(35-3)29-22(15)34-2;1-3-6-34(32,33)30-19-17(24)5-4-13(18(19)25)20(31)16-10-28-22-14(16)7-12(8-27-22)15-9-26-11(2)29-21(15)23;1-2-5-36(34,35)32-18-16(23)4-3-13(17(18)24)19(33)15-10-29-20-14(15)6-11(7-28-20)12-8-30-21(31-9-12)22(25,26)27;1-2-5-35(33,34)30-18-16(23)4-3-13(17(18)24)19(31)15-10-29-21-14(15)6-11(7-26-21)12-8-27-22(20(25)32)28-9-12;1-2-5-34(32,33)30-20-17(23)4-3-14(19(20)24)21(31)16-11-29-22-15(16)6-12(8-28-22)13-9-26-18(7-25)27-10-13/h3-4,10-13,29,34H,2,5-9H2,1H3,(H,30,31);3-4,10-14,32H,2,5-9H2,1H3,(H,28,29);6-7,10-14,32H,3-5,8-9H2,1-2H3,(H,30,31);5-6,8-11,30H,4,7H2,1-3H3,(H,26,27);4-5,7-10,30H,3,6H2,1-2H3,(H,27,28);3-4,6-10,32H,2,5H2,1H3,(H,28,29);3-4,6-10,30H,2,5H2,1H3,(H2,25,32)(H,26,29);3-4,6,8-11,30H,2,5H2,1H3,(H,28,29)
InChIKeyFEUMEFPJKFJTSB-UHFFFAOYSA-N
XLogP30.89
TPSA1063.91 Ų
H-Bond Donors18
H-Bond Acceptors57
Rotatable Bonds65
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004180.03
LogP ≤ 530.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1057

Analyze N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (CID 167565282) is N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C#N)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C(F)(F)F)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C(N)=O)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(C)nc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(CCCOC)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(N5CCNCC5)nc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(N5CCOCC5)nc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4OC)cc23)c1F.
What is the InChIKey of N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
The InChIKey is FEUMEFPJKFJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N7O3S.C25H24F2N6O4S.C25H25F2N5O4S.C23H21F2N5O5S.C22H18ClF2N5O3S.C22H16F5N5O3S.C22H18F2N6O4S.C22H16F2N6O3S/c1-2-9-39(37,38)34-21-19(27)4-3-15(20(21)28)22(36)18-13-31-24-16(18)10-14(11-30-24)17-12-32-25(33-23(17)26)35-7-5-29-6-8-35;1-2-9-38(35,36)32-22-20(26)4-3-17(21(22)27)23(34)19-14-29-24-18(19)10-15(11-28-24)16-12-30-25(31-13-16)33-5-7-37-8-6-33;1-3-9-37(34,35)32-23-20(26)7-6-17(22(23)27)24(33)19-14-31-25-18(19)10-15(11-30-25)16-12-28-21(29-13-16)5-4-8-36-2;1-4-7-36(32,33)30-19-17(24)6-5-13(18(19)25)20(31)16-11-27-21-14(16)8-12(9-26-21)15-10-28-23(35-3)29-22(15)34-2;1-3-6-34(32,33)30-19-17(24)5-4-13(18(19)25)20(31)16-10-28-22-14(16)7-12(8-27-22)15-9-26-11(2)29-21(15)23;1-2-5-36(34,35)32-18-16(23)4-3-13(17(18)24)19(33)15-10-29-20-14(15)6-11(7-28-20)12-8-30-21(31-9-12)22(25,26)27;1-2-5-35(33,34)30-18-16(23)4-3-13(17(18)24)19(31)15-10-29-21-14(15)6-11(7-26-21)12-8-27-22(20(25)32)28-9-12;1-2-5-34(32,33)30-20-17(23)4-3-14(19(20)24)21(31)16-11-29-22-15(16)6-12(8-28-22)13-9-26-18(7-25)27-10-13/h3-4,10-13,29,34H,2,5-9H2,1H3,(H,30,31);3-4,10-14,32H,2,5-9H2,1H3,(H,28,29);6-7,10-14,32H,3-5,8-9H2,1-2H3,(H,30,31);5-6,8-11,30H,4,7H2,1-3H3,(H,26,27);4-5,7-10,30H,3,6H2,1-2H3,(H,27,28);3-4,6-10,32H,2,5H2,1H3,(H,28,29);3-4,6-10,30H,2,5H2,1H3,(H2,25,32)(H,26,29);3-4,6,8-11,30H,2,5H2,1H3,(H,28,29).
What are the key properties of N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide has a molecular weight of 4180.03 g/mol, XLogP of 30.89, 65 rotatable bonds, 18 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-chloro-2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(4-chloro-2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-cyanopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-[2-(3-methoxypropyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-2-carboxamide;N-[2,6-difluoro-3-[5-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 167565282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).