N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C146H139ClF12N24O10S — CID 161375353

About N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161375353) has the molecular formula C146H139ClF12N24O10S and a molecular weight of 2685.37 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161375353
• Molecular Formula: C146H139ClF12N24O10S
• Molecular Weight: 2685.37 g/mol
• Exact Mass: 2683.03
• IUPAC Name: N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc5c4OC(F)(F)O5)c3c2)c1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12
• InChI: InChI=1S/C26H25F3N4O.C26H26F2N4O.C25H22ClF2N3O2.C25H23F2N3O4S.C22H21F2N5O.C22H22FN5O/c1-32-5-7-33(8-6-32)24-4-3-16(11-22(24)28)9-17-10-20-21(15-31-26(20)30-14-17)19-12-18(27)13-23(29)25(19)34-2;1-31-8-10-32(11-9-31)24-7-6-17(14-23(24)28)12-18-13-20-21(16-30-26(20)29-15-18)19-4-3-5-22(27)25(19)33-2;1-32-24-18(11-17(27)12-22(24)28)20-14-30-25-19(20)9-16(13-29-25)8-15-2-3-23(21(26)10-15)31-4-6-33-7-5-31;1-24(2,3)30(4)35(31,32)17-8-5-7-15(11-17)16-12-19-20(14-29-23(19)28-13-16)18-9-6-10-21-22(18)34-25(26,27)33-21;1-30-21-17(7-15(23)8-20(21)24)19-11-27-22-18(19)6-13(9-26-22)14-10-28-29(12-14)16-2-4-25-5-3-16;1-29-21-17(3-2-4-20(21)23)19-12-26-22-18(19)9-14(10-25-22)15-11-27-28(13-15)16-5-7-24-8-6-16/h3-4,10-15H,5-9H2,1-2H3,(H,30,31);3-7,13-16H,8-12H2,1-2H3,(H,29,30);2-3,9-14H,4-8H2,1H3,(H,29,30);5-14H,1-4H3,(H,28,29);6-12,16,25H,2-5H2,1H3,(H,26,27);2-4,9-13,16,24H,5-8H2,1H3,(H,25,26)
• InChIKey: VQZUDLNRSQUDGX-UHFFFAOYSA-N
• XLogP: 29.56
• TPSA: 359.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2685.37
LogP ≤ 5	29.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161375353) is N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc5c4OC(F)(F)O5)c3c2)c1.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.

What is the InChIKey of N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VQZUDLNRSQUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O.C26H26F2N4O.C25H22ClF2N3O2.C25H23F2N3O4S.C22H21F2N5O.C22H22FN5O/c1-32-5-7-33(8-6-32)24-4-3-16(11-22(24)28)9-17-10-20-21(15-31-26(20)30-14-17)19-12-18(27)13-23(29)25(19)34-2;1-31-8-10-32(11-9-31)24-7-6-17(14-23(24)28)12-18-13-20-21(16-30-26(20)29-15-18)19-4-3-5-22(27)25(19)33-2;1-32-24-18(11-17(27)12-22(24)28)20-14-30-25-19(20)9-16(13-29-25)8-15-2-3-23(21(26)10-15)31-4-6-33-7-5-31;1-24(2,3)30(4)35(31,32)17-8-5-7-15(11-17)16-12-19-20(14-29-23(19)28-13-16)18-9-6-10-21-22(18)34-25(26,27)33-21;1-30-21-17(7-15(23)8-20(21)24)19-11-27-22-18(19)6-13(9-26-22)14-10-28-29(12-14)16-2-4-25-5-3-16;1-29-21-17(3-2-4-20(21)23)19-12-26-22-18(19)9-14(10-25-22)15-11-27-28(13-15)16-5-7-24-8-6-16/h3-4,10-15H,5-9H2,1-2H3,(H,30,31);3-7,13-16H,8-12H2,1-2H3,(H,29,30);2-3,9-14H,4-8H2,1H3,(H,29,30);5-14H,1-4H3,(H,28,29);6-12,16,25H,2-5H2,1H3,(H,26,27);2-4,9-13,16,24H,5-8H2,1H3,(H,25,26).

What are the key properties of N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2685.37 g/mol, XLogP of 29.56, 27 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161375353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).