2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C92H77F11N16O12S4 — CID 159259748

IUPAC2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccnc4)c3c2)c1F
InChIInChI=1S/C24H19F4N3O3S.C23H19F3N4O3S.C23H20F2N4O3S.C22H19F2N5O3S/c1-2-7-35(33,34)31-20-6-5-18(26)22(23(20)28)21(32)9-13-8-15-16(12-30-24(15)29-11-13)14-3-4-17(25)19(27)10-14;1-2-9-34(32,33)30-19-8-7-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-3-5-14(24)6-4-13;1-2-10-33(31,32)29-19-9-8-18(24)20(21(19)25)23(30)28-15-11-16-17(13-27-22(16)26-12-15)14-6-4-3-5-7-14;1-2-8-33(31,32)29-18-6-5-17(23)19(20(18)24)22(30)28-14-9-15-16(12-27-21(15)26-11-14)13-4-3-7-25-10-13/h3-6,8,10-12,31H,2,7,9H2,1H3,(H,29,30);3-8,10-12,30H,2,9H2,1H3,(H,27,28)(H,29,31);3-9,11-13,29H,2,10H2,1H3,(H,26,27)(H,28,30);3-7,9-12,29H,2,8H2,1H3,(H,26,27)(H,28,30)
InChIKeyKWIVFTVAEXWBIP-UHFFFAOYSA-N
MW1935.97 g/mol
LogP19.63
Rot. Bonds29

About 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 159259748) has the molecular formula C92H77F11N16O12S4 and a molecular weight of 1935.97 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID159259748
Molecular FormulaC92H77F11N16O12S4
Molecular Weight1935.97 g/mol
Exact Mass1934.46
IUPAC Name2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccnc4)c3c2)c1F
InChIInChI=1S/C24H19F4N3O3S.C23H19F3N4O3S.C23H20F2N4O3S.C22H19F2N5O3S/c1-2-7-35(33,34)31-20-6-5-18(26)22(23(20)28)21(32)9-13-8-15-16(12-30-24(15)29-11-13)14-3-4-17(25)19(27)10-14;1-2-9-34(32,33)30-19-8-7-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-3-5-14(24)6-4-13;1-2-10-33(31,32)29-19-9-8-18(24)20(21(19)25)23(30)28-15-11-16-17(13-27-22(16)26-12-15)14-6-4-3-5-7-14;1-2-8-33(31,32)29-18-6-5-17(23)19(20(18)24)22(30)28-14-9-15-16(12-27-21(15)26-11-14)13-4-3-7-25-10-13/h3-6,8,10-12,31H,2,7,9H2,1H3,(H,29,30);3-8,10-12,30H,2,9H2,1H3,(H,27,28)(H,29,31);3-9,11-13,29H,2,10H2,1H3,(H,26,27)(H,28,30);3-7,9-12,29H,2,8H2,1H3,(H,26,27)(H,28,30)
InChIKeyKWIVFTVAEXWBIP-UHFFFAOYSA-N
XLogP19.63
TPSA416.66 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.97
LogP ≤ 519.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide with MolForge

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Related Compounds

2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide)
CID 121596340
N-(3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonamido)benzamide
CID 44223391
2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 44223392
2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44223393
2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223394
N-[3-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223443
N-[3-(2,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223444
2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223533
2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223535
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44223632
2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223782
2,6-difluoro-N-[2-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223873

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 159259748) is 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccnc4)c3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is KWIVFTVAEXWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3S.C23H19F3N4O3S.C23H20F2N4O3S.C22H19F2N5O3S/c1-2-7-35(33,34)31-20-6-5-18(26)22(23(20)28)21(32)9-13-8-15-16(12-30-24(15)29-11-13)14-3-4-17(25)19(27)10-14;1-2-9-34(32,33)30-19-8-7-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-3-5-14(24)6-4-13;1-2-10-33(31,32)29-19-9-8-18(24)20(21(19)25)23(30)28-15-11-16-17(13-27-22(16)26-12-15)14-6-4-3-5-7-14;1-2-8-33(31,32)29-18-6-5-17(23)19(20(18)24)22(30)28-14-9-15-16(12-27-21(15)26-11-14)13-4-3-7-25-10-13/h3-6,8,10-12,31H,2,7,9H2,1H3,(H,29,30);3-8,10-12,30H,2,9H2,1H3,(H,27,28)(H,29,31);3-9,11-13,29H,2,10H2,1H3,(H,26,27)(H,28,30);3-7,9-12,29H,2,8H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 1935.97 g/mol, XLogP of 19.63, 29 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-[2-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;2,6-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 159259748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).