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

C184H163BrClF3N32O18 — CID 159586542

IUPAC3-[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
SMILESCCc1c(-c2cccc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12.CN(C)C(=O)c1cccc(-c2cnc3[nH]cc4c3c2OCc2nccc(C=O)c2-4)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Br)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(OC)c12
InChIInChI=1S/C24H24N4O2.C23H20BrN3O2.C23H19F3N4O2.C23H19N5O2.C23H18N4O3.C23H22N4O3.C23H22N4O2.C22H19ClN4O2/c1-5-17-18(15-7-6-8-16(11-15)24(29)28(2)3)13-26-23-22(17)20(14-27-23)19-12-25-10-9-21(19)30-4;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;1-30(2)22(31)14-6-4-5-13(9-14)15-11-28-21-19(20(15)23(24,25)26)17(12-29-21)16-10-27-8-7-18(16)32-3;1-28(2)23(29)15-6-4-5-14(9-15)17-12-26-22-21(16(17)10-24)19(13-27-22)18-11-25-8-7-20(18)30-3;1-27(2)23(29)14-5-3-4-13(8-14)16-9-25-22-20-17(10-26-22)19-15(11-28)6-7-24-18(19)12-30-21(16)20;1-27(2)23(28)15-7-5-6-14(10-15)16-12-25-22-20(21(16)30-4)18(13-26-22)17-11-24-9-8-19(17)29-3;1-14-17(15-6-5-7-16(10-15)23(28)27(2)3)12-25-22-21(14)19(13-26-22)18-11-24-9-8-20(18)29-4;1-27(2)22(28)14-6-4-5-13(9-14)15-11-25-21-19(20(15)23)17(12-26-21)16-10-24-8-7-18(16)29-3/h6-14H,5H2,1-4H3,(H,26,27);4-13H,1-3H3,(H,25,26);4-12H,1-3H3,(H,28,29);4-9,11-13H,1-3H3,(H,26,27);3-11H,12H2,1-2H3,(H,25,26);5-13H,1-4H3,(H,25,26);5-13H,1-4H3,(H,25,26);4-12H,1-3H3,(H,25,26)
InChIKeyMJROSTAYAPTLML-UHFFFAOYSA-N
MW3282.88 g/mol
LogP35.51
Rot. Bonds33

About 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

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 (PubChem CID 159586542) has the molecular formula C184H163BrClF3N32O18 and a molecular weight of 3282.88 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-(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.

Molecular Properties

Compound Name3-[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
PubChem CID159586542
Molecular FormulaC184H163BrClF3N32O18
Molecular Weight3282.88 g/mol
Exact Mass3279.16
IUPAC Name3-[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
SMILESCCc1c(-c2cccc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12.CN(C)C(=O)c1cccc(-c2cnc3[nH]cc4c3c2OCc2nccc(C=O)c2-4)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Br)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(OC)c12
InChIInChI=1S/C24H24N4O2.C23H20BrN3O2.C23H19F3N4O2.C23H19N5O2.C23H18N4O3.C23H22N4O3.C23H22N4O2.C22H19ClN4O2/c1-5-17-18(15-7-6-8-16(11-15)24(29)28(2)3)13-26-23-22(17)20(14-27-23)19-12-25-10-9-21(19)30-4;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;1-30(2)22(31)14-6-4-5-13(9-14)15-11-28-21-19(20(15)23(24,25)26)17(12-29-21)16-10-27-8-7-18(16)32-3;1-28(2)23(29)15-6-4-5-14(9-15)17-12-26-22-21(16(17)10-24)19(13-27-22)18-11-25-8-7-20(18)30-3;1-27(2)23(29)14-5-3-4-13(8-14)16-9-25-22-20-17(10-26-22)19-15(11-28)6-7-24-18(19)12-30-21(16)20;1-27(2)23(28)15-7-5-6-14(10-15)16-12-25-22-20(21(16)30-4)18(13-26-22)17-11-24-9-8-19(17)29-3;1-14-17(15-6-5-7-16(10-15)23(28)27(2)3)12-25-22-21(14)19(13-26-22)18-11-24-9-8-20(18)29-4;1-27(2)22(28)14-6-4-5-13(9-14)15-11-25-21-19(20(15)23)17(12-26-21)16-10-24-8-7-18(16)29-3/h6-14H,5H2,1-4H3,(H,26,27);4-13H,1-3H3,(H,25,26);4-12H,1-3H3,(H,28,29);4-9,11-13H,1-3H3,(H,26,27);3-11H,12H2,1-2H3,(H,25,26);5-13H,1-4H3,(H,25,26);5-13H,1-4H3,(H,25,26);4-12H,1-3H3,(H,25,26)
InChIKeyMJROSTAYAPTLML-UHFFFAOYSA-N
XLogP35.51
TPSA606.08 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003282.88
LogP ≤ 535.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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-(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?
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-(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) is 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.
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-(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?
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-(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 is CCc1c(-c2cccc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12.CN(C)C(=O)c1cccc(-c2cnc3[nH]cc4c3c2OCc2nccc(C=O)c2-4)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Br)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccncc1-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-(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?
The InChIKey is MJROSTAYAPTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.C23H20BrN3O2.C23H19F3N4O2.C23H19N5O2.C23H18N4O3.C23H22N4O3.C23H22N4O2.C22H19ClN4O2/c1-5-17-18(15-7-6-8-16(11-15)24(29)28(2)3)13-26-23-22(17)20(14-27-23)19-12-25-10-9-21(19)30-4;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;1-30(2)22(31)14-6-4-5-13(9-14)15-11-28-21-19(20(15)23(24,25)26)17(12-29-21)16-10-27-8-7-18(16)32-3;1-28(2)23(29)15-6-4-5-14(9-15)17-12-26-22-21(16(17)10-24)19(13-27-22)18-11-25-8-7-20(18)30-3;1-27(2)23(29)14-5-3-4-13(8-14)16-9-25-22-20-17(10-26-22)19-15(11-28)6-7-24-18(19)12-30-21(16)20;1-27(2)23(28)15-7-5-6-14(10-15)16-12-25-22-20(21(16)30-4)18(13-26-22)17-11-24-9-8-19(17)29-3;1-14-17(15-6-5-7-16(10-15)23(28)27(2)3)12-25-22-21(14)19(13-26-22)18-11-24-9-8-20(18)29-4;1-27(2)22(28)14-6-4-5-13(9-14)15-11-25-21-19(20(15)23)17(12-26-21)16-10-24-8-7-18(16)29-3/h6-14H,5H2,1-4H3,(H,26,27);4-13H,1-3H3,(H,25,26);4-12H,1-3H3,(H,28,29);4-9,11-13H,1-3H3,(H,26,27);3-11H,12H2,1-2H3,(H,25,26);5-13H,1-4H3,(H,25,26);5-13H,1-4H3,(H,25,26);4-12H,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-(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?
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 has a molecular weight of 3282.88 g/mol, XLogP of 35.51, 33 rotatable bonds, 8 hydrogen bond donors, and 34 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-(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 is sourced from PubChem (CID 159586542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).