3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

C191H172BrClF3N25O18 — CID 158099118

IUPAC3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCCc1c(-c2cccc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3ccccc3OC)c12.COc1cccc2c1-c1c[nH]c3ncc(-c4cccc(C(=O)N(C)C)c4)c(c13)OC2.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Br)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(OC)c12
InChIInChI=1S/C25H25N3O2.C24H20F3N3O2.C24H20N4O2.C24H21N3O3.C24H23N3O3.C24H23N3O2.C23H20BrN3O2.C23H20ClN3O2/c1-5-18-20(16-9-8-10-17(13-16)25(29)28(2)3)14-26-24-23(18)21(15-27-24)19-11-6-7-12-22(19)30-4;1-30(2)23(31)15-8-6-7-14(11-15)17-12-28-22-20(21(17)24(25,26)27)18(13-29-22)16-9-4-5-10-19(16)32-3;1-28(2)24(29)16-8-6-7-15(11-16)19-13-26-23-22(18(19)12-25)20(14-27-23)17-9-4-5-10-21(17)30-3;1-27(2)24(28)15-7-4-6-14(10-15)17-11-25-23-21-18(12-26-23)20-16(13-30-22(17)21)8-5-9-19(20)29-3;1-27(2)24(28)16-9-7-8-15(12-16)18-13-25-23-21(22(18)30-4)19(14-26-23)17-10-5-6-11-20(17)29-3;1-15-19(16-8-7-9-17(12-16)24(28)27(2)3)13-25-23-22(15)20(14-26-23)18-10-5-6-11-21(18)29-4;2*1-27(2)23(28)15-8-6-7-14(11-15)17-12-25-22-20(21(17)24)18(13-26-22)16-9-4-5-10-19(16)29-3/h6-15H,5H2,1-4H3,(H,26,27);4-13H,1-3H3,(H,28,29);4-11,13-14H,1-3H3,(H,26,27);4-12H,13H2,1-3H3,(H,25,26);5-14H,1-4H3,(H,25,26);5-14H,1-4H3,(H,25,26);2*4-13H,1-3H3,(H,25,26)
InChIKeyFPARLXASOZZACI-UHFFFAOYSA-N
MW3277.98 g/mol
LogP39.94
Rot. Bonds33

About 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 158099118) has the molecular formula C191H172BrClF3N25O18 and a molecular weight of 3277.98 g/mol. Its IUPAC name is 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID158099118
Molecular FormulaC191H172BrClF3N25O18
Molecular Weight3277.98 g/mol
Exact Mass3274.21
IUPAC Name3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCCc1c(-c2cccc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3ccccc3OC)c12.COc1cccc2c1-c1c[nH]c3ncc(-c4cccc(C(=O)N(C)C)c4)c(c13)OC2.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Br)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(OC)c12
InChIInChI=1S/C25H25N3O2.C24H20F3N3O2.C24H20N4O2.C24H21N3O3.C24H23N3O3.C24H23N3O2.C23H20BrN3O2.C23H20ClN3O2/c1-5-18-20(16-9-8-10-17(13-16)25(29)28(2)3)14-26-24-23(18)21(15-27-24)19-11-6-7-12-22(19)30-4;1-30(2)23(31)15-8-6-7-14(11-15)17-12-28-22-20(21(17)24(25,26)27)18(13-29-22)16-9-4-5-10-19(16)32-3;1-28(2)24(29)16-8-6-7-15(11-16)19-13-26-23-22(18(19)12-25)20(14-27-23)17-9-4-5-10-21(17)30-3;1-27(2)24(28)15-7-4-6-14(10-15)17-11-25-23-21-18(12-26-23)20-16(13-30-22(17)21)8-5-9-19(20)29-3;1-27(2)24(28)16-9-7-8-15(12-16)18-13-25-23-21(22(18)30-4)19(14-26-23)17-10-5-6-11-20(17)29-3;1-15-19(16-8-7-9-17(12-16)24(28)27(2)3)13-25-23-22(15)20(14-26-23)18-10-5-6-11-21(18)29-4;2*1-27(2)23(28)15-8-6-7-14(11-15)17-12-25-22-20(21(17)24)18(13-26-22)16-9-4-5-10-19(16)29-3/h6-15H,5H2,1-4H3,(H,26,27);4-13H,1-3H3,(H,28,29);4-11,13-14H,1-3H3,(H,26,27);4-12H,13H2,1-3H3,(H,25,26);5-14H,1-4H3,(H,25,26);5-14H,1-4H3,(H,25,26);2*4-13H,1-3H3,(H,25,26)
InChIKeyFPARLXASOZZACI-UHFFFAOYSA-N
XLogP39.94
TPSA508.01 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.98
LogP ≤ 539.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 91077206
5-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 158999318
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-formyl-9-oxa-6,13,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[4-methoxy-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 159586542
5-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-chloro-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-cyano-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[4-ethyl-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-(3-formyl-9-oxa-6,13,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10(17),11,13-heptaen-11-yl)-N,N-dimethylpyridine-3-carboxamide;5-[4-methoxy-3-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 160553520
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 91305259

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 158099118) is 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide is CCc1c(-c2cccc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3ccccc3OC)c12.COc1cccc2c1-c1c[nH]c3ncc(-c4cccc(C(=O)N(C)C)c4)c(c13)OC2.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Br)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(OC)c12.
What is the InChIKey of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is FPARLXASOZZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.C24H20F3N3O2.C24H20N4O2.C24H21N3O3.C24H23N3O3.C24H23N3O2.C23H20BrN3O2.C23H20ClN3O2/c1-5-18-20(16-9-8-10-17(13-16)25(29)28(2)3)14-26-24-23(18)21(15-27-24)19-11-6-7-12-22(19)30-4;1-30(2)23(31)15-8-6-7-14(11-15)17-12-28-22-20(21(17)24(25,26)27)18(13-29-22)16-9-4-5-10-19(16)32-3;1-28(2)24(29)16-8-6-7-15(11-16)19-13-26-23-22(18(19)12-25)20(14-27-23)17-9-4-5-10-21(17)30-3;1-27(2)24(28)15-7-4-6-14(10-15)17-11-25-23-21-18(12-26-23)20-16(13-30-22(17)21)8-5-9-19(20)29-3;1-27(2)24(28)16-9-7-8-15(12-16)18-13-25-23-21(22(18)30-4)19(14-26-23)17-10-5-6-11-20(17)29-3;1-15-19(16-8-7-9-17(12-16)24(28)27(2)3)13-25-23-22(15)20(14-26-23)18-10-5-6-11-21(18)29-4;2*1-27(2)23(28)15-8-6-7-14(11-15)17-12-25-22-20(21(17)24)18(13-26-22)16-9-4-5-10-19(16)29-3/h6-15H,5H2,1-4H3,(H,26,27);4-13H,1-3H3,(H,28,29);4-11,13-14H,1-3H3,(H,26,27);4-12H,13H2,1-3H3,(H,25,26);5-14H,1-4H3,(H,25,26);5-14H,1-4H3,(H,25,26);2*4-13H,1-3H3,(H,25,26).
What are the key properties of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 3277.98 g/mol, XLogP of 39.94, 33 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-cyano-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-ethyl-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-(3-methoxy-9-oxa-13,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-11-yl)-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;3-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 158099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).