4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C145H131Cl2F12N23O9S — CID 161368164

About 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161368164) has the molecular formula C145H131Cl2F12N23O9S and a molecular weight of 2670.74 g/mol. Its IUPAC name is 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161368164
• Molecular Formula: C145H131Cl2F12N23O9S
• Molecular Weight: 2670.74 g/mol
• Exact Mass: 2667.94
• IUPAC Name: 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: 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(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnc(N4CCOCC4)s3)cc12.O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12
• InChI: InChI=1S/C26H25F3N4O.C26H26F2N4O.C25H22ClF2N3O2.C25H23ClFN3O2.C22H19F2N5O.C21H16F2N4O2S/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;1-31-24-18(3-2-4-22(24)27)20-15-29-25-19(20)12-17(14-28-25)11-16-5-6-23(21(26)13-16)30-7-9-32-10-8-30;23-18-2-1-3-19(24)20(18)21(30)17-11-27-22-16(17)8-13(9-26-22)14-10-28-29(12-14)15-4-6-25-7-5-15;22-15-2-1-3-16(23)18(15)19(28)14-10-25-20-13(14)8-12(9-24-20)17-11-26-21(30-17)27-4-6-29-7-5-27/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);2-6,12-15H,7-11H2,1H3,(H,28,29);1-3,8-12,15,25H,4-7H2,(H,26,27);1-3,8-11H,4-7H2,(H,24,25)
• InChIKey: VQCDRWYPGIRWAX-UHFFFAOYSA-N
• XLogP: 28.81
• TPSA: 336.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2670.74
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 161368164) is 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is 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(Cc3ccc(N4CCN(C)CC4)c(F)c3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(Cc3ccc(N4CCOCC4)c(Cl)c3)cc12.O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnc(N4CCOCC4)s3)cc12.O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12.

What is the InChIKey of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VQCDRWYPGIRWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O.C26H26F2N4O.C25H22ClF2N3O2.C25H23ClFN3O2.C22H19F2N5O.C21H16F2N4O2S/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;1-31-24-18(3-2-4-22(24)27)20-15-29-25-19(20)12-17(14-28-25)11-16-5-6-23(21(26)13-16)30-7-9-32-10-8-30;23-18-2-1-3-19(24)20(18)21(30)17-11-27-22-16(17)8-13(9-26-22)14-10-28-29(12-14)15-4-6-25-7-5-15;22-15-2-1-3-16(23)18(15)19(28)14-10-25-20-13(14)8-12(9-24-20)17-11-26-21(30-17)27-4-6-29-7-5-27/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);2-6,12-15H,7-11H2,1H3,(H,28,29);1-3,8-12,15,25H,4-7H2,(H,26,27);1-3,8-11H,4-7H2,(H,24,25).

What are the key properties of 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2670.74 g/mol, XLogP of 28.81, 28 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-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;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161368164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).