2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C74H68F7N13O10S3 — CID 123913456

IUPAC2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccc(C)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCOCC5)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccccc4F)c3c2)c1F
InChIInChI=1S/C27H27F2N5O4S.C24H22F2N4O3S.C23H19F3N4O3S/c1-2-12-39(36,37)33-23-7-6-22(28)24(25(23)29)27(35)32-18-14-20-21(16-31-26(20)30-15-18)17-4-3-5-19(13-17)34-8-10-38-11-9-34;1-3-10-34(32,33)30-20-9-8-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-14(2)5-7-15;1-2-9-34(32,33)30-19-8-7-18(25)20(21(19)26)23(31)29-13-10-15-16(12-28-22(15)27-11-13)14-5-3-4-6-17(14)24/h3-7,13-16,33H,2,8-12H2,1H3,(H,30,31)(H,32,35);4-9,11-13,30H,3,10H2,1-2H3,(H,27,28)(H,29,31);3-8,10-12,30H,2,9H2,1H3,(H,27,28)(H,29,31)
InChIKeyIAKZQFVUHJKKMO-UHFFFAOYSA-N
MW1528.63 g/mol
LogP15.02
Rot. Bonds22

About 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 123913456) has the molecular formula C74H68F7N13O10S3 and a molecular weight of 1528.63 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
PubChem CID123913456
Molecular FormulaC74H68F7N13O10S3
Molecular Weight1528.63 g/mol
Exact Mass1527.43
IUPAC Name2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccc(C)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCOCC5)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccccc4F)c3c2)c1F
InChIInChI=1S/C27H27F2N5O4S.C24H22F2N4O3S.C23H19F3N4O3S/c1-2-12-39(36,37)33-23-7-6-22(28)24(25(23)29)27(35)32-18-14-20-21(16-31-26(20)30-15-18)17-4-3-5-19(13-17)34-8-10-38-11-9-34;1-3-10-34(32,33)30-20-9-8-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-14(2)5-7-15;1-2-9-34(32,33)30-19-8-7-18(25)20(21(19)26)23(31)29-13-10-15-16(12-28-22(15)27-11-13)14-5-3-4-6-17(14)24/h3-7,13-16,33H,2,8-12H2,1H3,(H,30,31)(H,32,35);4-9,11-13,30H,3,10H2,1-2H3,(H,27,28)(H,29,31);3-8,10-12,30H,2,9H2,1H3,(H,27,28)(H,29,31)
InChIKeyIAKZQFVUHJKKMO-UHFFFAOYSA-N
XLogP15.02
TPSA324.32 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001528.63
LogP ≤ 515.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)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-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44223393
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-3-(propylsulfonylamino)-N-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44223537
2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223585
2,6-difluoro-N-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223729
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-(4-phenylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223830
2,6-difluoro-N-[2-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223873
2,6-difluoro-N-[2-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223874

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 123913456) is 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccc(C)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCOCC5)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccccc4F)c3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is IAKZQFVUHJKKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O4S.C24H22F2N4O3S.C23H19F3N4O3S/c1-2-12-39(36,37)33-23-7-6-22(28)24(25(23)29)27(35)32-18-14-20-21(16-31-26(20)30-15-18)17-4-3-5-19(13-17)34-8-10-38-11-9-34;1-3-10-34(32,33)30-20-9-8-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-14(2)5-7-15;1-2-9-34(32,33)30-19-8-7-18(25)20(21(19)26)23(31)29-13-10-15-16(12-28-22(15)27-11-13)14-5-3-4-6-17(14)24/h3-7,13-16,33H,2,8-12H2,1H3,(H,30,31)(H,32,35);4-9,11-13,30H,3,10H2,1-2H3,(H,27,28)(H,29,31);3-8,10-12,30H,2,9H2,1H3,(H,27,28)(H,29,31).
What are the key properties of 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 1528.63 g/mol, XLogP of 15.02, 22 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 123913456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).