N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide

C97H95F8N17O13S4 — CID 159293157

About N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide

N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide (PubChem CID 159293157) has the molecular formula C97H95F8N17O13S4 and a molecular weight of 1987.18 g/mol. Its IUPAC name is N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
• PubChem CID: 159293157
• Molecular Formula: C97H95F8N17O13S4
• Molecular Weight: 1987.18 g/mol
• Exact Mass: 1985.61
• IUPAC Name: N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(C4CC4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(CN(C)C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(CN5CCOCC5)c4)c3c2)c1F.CCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4ccccc4)cc3c2)c1F
• InChI: InChI=1S/C28H29F2N5O4S.C26H27F2N5O3S.C23H19F2N3O3S.C20H20F2N4O3S/c1-2-12-40(37,38)34-24-7-6-23(29)25(26(24)30)28(36)33-20-14-21-22(16-32-27(21)31-15-20)19-5-3-4-18(13-19)17-35-8-10-39-11-9-35;1-4-10-37(35,36)32-22-9-8-21(27)23(24(22)28)26(34)31-18-12-19-20(14-30-25(19)29-13-18)17-7-5-6-16(11-17)15-33(2)3;1-2-32(30,31)28-18-9-8-17(24)21(22(18)25)20(29)11-14-10-16-12-19(27-23(16)26-13-14)15-6-4-3-5-7-15;1-2-7-30(28,29)26-15-6-5-14(21)17(18(15)22)20(27)24-13-8-12-9-16(11-3-4-11)25-19(12)23-10-13/h3-7,13-16,34H,2,8-12,17H2,1H3,(H,31,32)(H,33,36);5-9,11-14,32H,4,10,15H2,1-3H3,(H,29,30)(H,31,34);3-10,12-13,28H,2,11H2,1H3,(H,26,27);5-6,8-11,26H,2-4,7H2,1H3,(H,23,25)(H,24,27)
• InChIKey: LAJNVDLTEJMXBN-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 419.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.18
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?

The IUPAC name of N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide (CID 159293157) is N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide.

What is the SMILES notation for N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?

The canonical SMILES for N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(C4CC4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(CN(C)C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(CN5CCOCC5)c4)c3c2)c1F.CCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(-c4ccccc4)cc3c2)c1F.

What is the InChIKey of N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?

The InChIKey is LAJNVDLTEJMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O4S.C26H27F2N5O3S.C23H19F2N3O3S.C20H20F2N4O3S/c1-2-12-40(37,38)34-24-7-6-23(29)25(26(24)30)28(36)33-20-14-21-22(16-32-27(21)31-15-20)19-5-3-4-18(13-19)17-35-8-10-39-11-9-35;1-4-10-37(35,36)32-22-9-8-21(27)23(24(22)28)26(34)31-18-12-19-20(14-30-25(19)29-13-18)17-7-5-6-16(11-17)15-33(2)3;1-2-32(30,31)28-18-9-8-17(24)21(22(18)25)20(29)11-14-10-16-12-19(27-23(16)26-13-14)15-6-4-3-5-7-15;1-2-7-30(28,29)26-15-6-5-14(21)17(18(15)22)20(27)24-13-8-12-9-16(11-3-4-11)25-19(12)23-10-13/h3-7,13-16,34H,2,8-12,17H2,1H3,(H,31,32)(H,33,36);5-9,11-14,32H,4,10,15H2,1-3H3,(H,29,30)(H,31,34);3-10,12-13,28H,2,11H2,1H3,(H,26,27);5-6,8-11,26H,2-4,7H2,1H3,(H,23,25)(H,24,27).

What are the key properties of N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?

N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide has a molecular weight of 1987.18 g/mol, XLogP of 18.54, 32 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]ethanesulfonamide;N-[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 159293157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).