N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

C170H141Cl3F15N21O34S7 — CID 167532160

IUPACN-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-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(-c4ccc(C(=O)O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(O)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cccc(C(=O)O)c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccccc4C(=O)O)cc23)c1F
InChIInChI=1S/C26H24ClF2N3O6S.C26H25F2N3O6S.3C24H19F2N3O5S.C23H17ClF3N3O3S.C23H18ClF2N3O4S/c1-2-7-39(36,37)32-24-22(28)6-5-18(23(24)29)25(35)20-11-31-26-19(20)8-14(10-30-26)17-4-3-16(9-21(17)27)38-13-15(34)12-33;1-2-9-38(35,36)31-24-22(27)8-7-19(23(24)28)25(34)21-12-30-26-20(21)10-16(11-29-26)15-3-5-18(6-4-15)37-14-17(33)13-32;1-2-9-35(33,34)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-15(11-27-23)13-3-5-14(6-4-13)24(31)32;1-2-8-35(33,34)29-21-19(25)7-6-16(20(21)26)22(30)18-12-28-23-17(18)10-15(11-27-23)13-4-3-5-14(9-13)24(31)32;1-2-9-35(33,34)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-13(11-27-23)14-5-3-4-6-15(14)24(31)32;1-2-7-34(32,33)30-21-19(26)6-5-15(20(21)27)22(31)17-11-29-23-16(17)8-12(10-28-23)14-4-3-13(25)9-18(14)24;1-2-7-34(32,33)29-21-19(25)6-5-15(20(21)26)22(31)17-11-28-23-16(17)8-12(10-27-23)14-4-3-13(30)9-18(14)24/h3-6,8-11,15,32-34H,2,7,12-13H2,1H3,(H,30,31);3-8,10-12,17,31-33H,2,9,13-14H2,1H3,(H,29,30);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H,31,32);3-7,9-12,29H,2,8H2,1H3,(H,27,28)(H,31,32);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H,31,32);3-6,8-11,30H,2,7H2,1H3,(H,28,29);3-6,8-11,29-30H,2,7H2,1H3,(H,27,28)
InChIKeyACPXGVJOVYYRSC-UHFFFAOYSA-N
MW3637.91 g/mol
LogP32.60
Rot. Bonds60

About N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide

N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (PubChem CID 167532160) has the molecular formula C170H141Cl3F15N21O34S7 and a molecular weight of 3637.91 g/mol. Its IUPAC name is N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
PubChem CID167532160
Molecular FormulaC170H141Cl3F15N21O34S7
Molecular Weight3637.91 g/mol
Exact Mass3633.68
IUPAC NameN-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-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(-c4ccc(C(=O)O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(O)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cccc(C(=O)O)c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccccc4C(=O)O)cc23)c1F
InChIInChI=1S/C26H24ClF2N3O6S.C26H25F2N3O6S.3C24H19F2N3O5S.C23H17ClF3N3O3S.C23H18ClF2N3O4S/c1-2-7-39(36,37)32-24-22(28)6-5-18(23(24)29)25(35)20-11-31-26-19(20)8-14(10-30-26)17-4-3-16(9-21(17)27)38-13-15(34)12-33;1-2-9-38(35,36)31-24-22(27)8-7-19(23(24)28)25(34)21-12-30-26-20(21)10-16(11-29-26)15-3-5-18(6-4-15)37-14-17(33)13-32;1-2-9-35(33,34)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-15(11-27-23)13-3-5-14(6-4-13)24(31)32;1-2-8-35(33,34)29-21-19(25)7-6-16(20(21)26)22(30)18-12-28-23-17(18)10-15(11-27-23)13-4-3-5-14(9-13)24(31)32;1-2-9-35(33,34)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-13(11-27-23)14-5-3-4-6-15(14)24(31)32;1-2-7-34(32,33)30-21-19(26)6-5-15(20(21)27)22(31)17-11-29-23-16(17)8-12(10-28-23)14-4-3-13(25)9-18(14)24;1-2-7-34(32,33)29-21-19(25)6-5-15(20(21)26)22(31)17-11-28-23-16(17)8-12(10-27-23)14-4-3-13(30)9-18(14)24/h3-6,8-11,15,32-34H,2,7,12-13H2,1H3,(H,30,31);3-8,10-12,17,31-33H,2,9,13-14H2,1H3,(H,29,30);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H,31,32);3-7,9-12,29H,2,8H2,1H3,(H,27,28)(H,31,32);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H,31,32);3-6,8-11,30H,2,7H2,1H3,(H,28,29);3-6,8-11,29-30H,2,7H2,1H3,(H,27,28)
InChIKeyACPXGVJOVYYRSC-UHFFFAOYSA-N
XLogP32.60
TPSA874.95 Ų
H-Bond Donors22
H-Bond Acceptors38
Rotatable Bonds60
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003637.91
LogP ≤ 532.60
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1038

Analyze N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-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-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide (CID 167532160) is N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-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(-c4ccc(C(=O)O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(O)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OCC(O)CO)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cccc(C(=O)O)c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccccc4C(=O)O)cc23)c1F.
What is the InChIKey of N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
The InChIKey is ACPXGVJOVYYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N3O6S.C26H25F2N3O6S.3C24H19F2N3O5S.C23H17ClF3N3O3S.C23H18ClF2N3O4S/c1-2-7-39(36,37)32-24-22(28)6-5-18(23(24)29)25(35)20-11-31-26-19(20)8-14(10-30-26)17-4-3-16(9-21(17)27)38-13-15(34)12-33;1-2-9-38(35,36)31-24-22(27)8-7-19(23(24)28)25(34)21-12-30-26-20(21)10-16(11-29-26)15-3-5-18(6-4-15)37-14-17(33)13-32;1-2-9-35(33,34)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-15(11-27-23)13-3-5-14(6-4-13)24(31)32;1-2-8-35(33,34)29-21-19(25)7-6-16(20(21)26)22(30)18-12-28-23-17(18)10-15(11-27-23)13-4-3-5-14(9-13)24(31)32;1-2-9-35(33,34)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-13(11-27-23)14-5-3-4-6-15(14)24(31)32;1-2-7-34(32,33)30-21-19(26)6-5-15(20(21)27)22(31)17-11-29-23-16(17)8-12(10-28-23)14-4-3-13(25)9-18(14)24;1-2-7-34(32,33)29-21-19(25)6-5-15(20(21)26)22(31)17-11-28-23-16(17)8-12(10-27-23)14-4-3-13(30)9-18(14)24/h3-6,8-11,15,32-34H,2,7,12-13H2,1H3,(H,30,31);3-8,10-12,17,31-33H,2,9,13-14H2,1H3,(H,29,30);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H,31,32);3-7,9-12,29H,2,8H2,1H3,(H,27,28)(H,31,32);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H,31,32);3-6,8-11,30H,2,7H2,1H3,(H,28,29);3-6,8-11,29-30H,2,7H2,1H3,(H,27,28).
What are the key properties of N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide?
N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide has a molecular weight of 3637.91 g/mol, XLogP of 32.60, 60 rotatable bonds, 22 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 167532160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).