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

C94H84BrClN12O9 — CID 91305259

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-(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
SMILESCOc1cccc2c1-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)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12
InChIInChI=1S/C24H21N3O3.C24H23N3O2.C23H20BrN3O2.C23H20ClN3O2/c1-27(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;1-15-19(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/h4-12H,13H2,1-3H3,(H,25,26);5-14H,1-4H3,(H,25,26);2*4-13H,1-3H3,(H,25,26)
InChIKeyNSDGDYLYMQOTPF-UHFFFAOYSA-N
MW1641.14 g/mol
LogP20.05
Rot. Bonds15

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-(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-[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 (PubChem CID 91305259) has the molecular formula C94H84BrClN12O9 and a molecular weight of 1641.14 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-(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.

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-(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
PubChem CID91305259
Molecular FormulaC94H84BrClN12O9
Molecular Weight1641.14 g/mol
Exact Mass1638.54
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-(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
SMILESCOc1cccc2c1-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)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12
InChIInChI=1S/C24H21N3O3.C24H23N3O2.C23H20BrN3O2.C23H20ClN3O2/c1-27(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;1-15-19(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/h4-12H,13H2,1-3H3,(H,25,26);5-14H,1-4H3,(H,25,26);2*4-13H,1-3H3,(H,25,26)
InChIKeyNSDGDYLYMQOTPF-UHFFFAOYSA-N
XLogP20.05
TPSA242.11 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.14
LogP ≤ 520.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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-(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 with MolForge

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Related Compounds

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
5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 91507947
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700190
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 50950516
4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139222828
2-formamido-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700179
3-fluoro-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700043
2-[[2-(cyclopropylamino)acetyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700185
2-[2-(dimethylamino)ethylamino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700275
3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-cyclopentene]-5-yl)-N,N-dimethylbenzamide
CID 146537074

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-(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?
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-(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) 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-(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.
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-(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?
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-(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 is 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)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)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-(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?
The InChIKey is NSDGDYLYMQOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.C24H23N3O2.C23H20BrN3O2.C23H20ClN3O2/c1-27(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;1-15-19(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/h4-12H,13H2,1-3H3,(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-(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-[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 has a molecular weight of 1641.14 g/mol, XLogP of 20.05, 15 rotatable bonds, 4 hydrogen bond donors, and 13 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-(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 is sourced from PubChem (CID 91305259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).