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

C89H77F9N16O13S5 — CID 157060302

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

2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 157060302) has the molecular formula C89H77F9N16O13S5 and a molecular weight of 1910.01 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
• PubChem CID: 157060302
• Molecular Formula: C89H77F9N16O13S5
• Molecular Weight: 1910.01 g/mol
• Exact Mass: 1908.43
• IUPAC Name: 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccoc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccsc4)c3c2)c1F
• InChI: InChI=1S/C24H22F2N4O3S.C23H19F3N4O3S.C21H18F2N4O4S.C21H18F2N4O3S2/c1-3-9-34(32,33)30-20-8-7-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-5-14(2)10-15;1-2-8-34(32,33)30-19-7-6-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-4-3-5-14(24)9-13;2*1-2-7-32(29,30)27-17-4-3-16(22)18(19(17)23)21(28)26-13-8-14-15(12-5-6-31-11-12)10-25-20(14)24-9-13/h4-8,10-13,30H,3,9H2,1-2H3,(H,27,28)(H,29,31);3-7,9-12,30H,2,8H2,1H3,(H,27,28)(H,29,31);2*3-6,8-11,27H,2,7H2,1H3,(H,24,25)(H,26,28)
• InChIKey: ABGIAHMSZVZSGP-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 428.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.01
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The IUPAC name of 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 157060302) is 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

What is the SMILES notation for 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The canonical SMILES for 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(F)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccoc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4ccsc4)c3c2)c1F.

What is the InChIKey of 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The InChIKey is ABGIAHMSZVZSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3S.C23H19F3N4O3S.C21H18F2N4O4S.C21H18F2N4O3S2/c1-3-9-34(32,33)30-20-8-7-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-5-14(2)10-15;1-2-8-34(32,33)30-19-7-6-18(25)20(21(19)26)23(31)29-15-10-16-17(12-28-22(16)27-11-15)13-4-3-5-14(24)9-13;2*1-2-7-32(29,30)27-17-4-3-16(22)18(19(17)23)21(28)26-13-8-14-15(12-5-6-31-11-12)10-25-20(14)24-9-13/h4-8,10-13,30H,3,9H2,1-2H3,(H,27,28)(H,29,31);3-7,9-12,30H,2,8H2,1H3,(H,27,28)(H,29,31);2*3-6,8-11,27H,2,7H2,1H3,(H,24,25)(H,26,28).

What are the key properties of 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 1910.01 g/mol, XLogP of 19.75, 28 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 157060302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).