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

C176H155BrClF3N40O18 — CID 160553520

IUPAC5-[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
SMILESCCc1c(-c2cncc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12.CN(C)C(=O)c1cncc(-c2cnc3[nH]cc4c3c2OCc2nccc(C=O)c2-4)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Br)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(OC)c12
InChIInChI=1S/C23H23N5O2.C22H19BrN4O2.C22H18F3N5O2.C22H18N6O2.C22H17N5O3.C22H21N5O3.C22H21N5O2.C21H18ClN5O2/c1-5-16-17(14-8-15(10-25-9-14)23(29)28(2)3)12-26-22-21(16)19(13-27-22)18-11-24-7-6-20(18)30-4;1-27(2)22(28)14-8-13(9-24-10-14)16-11-25-21-19(20(16)23)17(12-26-21)15-6-4-5-7-18(15)29-3;1-30(2)21(31)13-6-12(7-27-8-13)14-10-28-20-18(19(14)22(23,24)25)16(11-29-20)15-9-26-5-4-17(15)32-3;1-28(2)22(29)14-6-13(8-25-9-14)16-11-26-21-20(15(16)7-23)18(12-27-21)17-10-24-5-4-19(17)30-3;1-27(2)22(29)14-5-13(6-23-7-14)15-8-25-21-19-16(9-26-21)18-12(10-28)3-4-24-17(18)11-30-20(15)19;1-27(2)22(28)14-7-13(8-24-9-14)15-11-25-21-19(20(15)30-4)17(12-26-21)16-10-23-6-5-18(16)29-3;1-13-16(14-7-15(9-24-8-14)22(28)27(2)3)11-25-21-20(13)18(12-26-21)17-10-23-6-5-19(17)29-4;1-27(2)21(28)13-6-12(7-24-8-13)14-10-25-20-18(19(14)22)16(11-26-20)15-9-23-5-4-17(15)29-3/h6-13H,5H2,1-4H3,(H,26,27);4-12H,1-3H3,(H,25,26);4-11H,1-3H3,(H,28,29);4-6,8-12H,1-3H3,(H,26,27);3-10H,11H2,1-2H3,(H,25,26);5-12H,1-4H3,(H,25,26);5-12H,1-4H3,(H,25,26);4-11H,1-3H3,(H,25,26)
InChIKeyQYJNAKOKKDTQLE-UHFFFAOYSA-N
MW3290.79 g/mol
LogP30.67
Rot. Bonds33

About 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

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 (PubChem CID 160553520) has the molecular formula C176H155BrClF3N40O18 and a molecular weight of 3290.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID160553520
Molecular FormulaC176H155BrClF3N40O18
Molecular Weight3290.79 g/mol
Exact Mass3287.13
IUPAC Name5-[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
SMILESCCc1c(-c2cncc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12.CN(C)C(=O)c1cncc(-c2cnc3[nH]cc4c3c2OCc2nccc(C=O)c2-4)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Br)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(OC)c12
InChIInChI=1S/C23H23N5O2.C22H19BrN4O2.C22H18F3N5O2.C22H18N6O2.C22H17N5O3.C22H21N5O3.C22H21N5O2.C21H18ClN5O2/c1-5-16-17(14-8-15(10-25-9-14)23(29)28(2)3)12-26-22-21(16)19(13-27-22)18-11-24-7-6-20(18)30-4;1-27(2)22(28)14-8-13(9-24-10-14)16-11-25-21-19(20(16)23)17(12-26-21)15-6-4-5-7-18(15)29-3;1-30(2)21(31)13-6-12(7-27-8-13)14-10-28-20-18(19(14)22(23,24)25)16(11-29-20)15-9-26-5-4-17(15)32-3;1-28(2)22(29)14-6-13(8-25-9-14)16-11-26-21-20(15(16)7-23)18(12-27-21)17-10-24-5-4-19(17)30-3;1-27(2)22(29)14-5-13(6-23-7-14)15-8-25-21-19-16(9-26-21)18-12(10-28)3-4-24-17(18)11-30-20(15)19;1-27(2)22(28)14-7-13(8-24-9-14)15-11-25-21-19(20(15)30-4)17(12-26-21)16-10-23-6-5-18(16)29-3;1-13-16(14-7-15(9-24-8-14)22(28)27(2)3)11-25-21-20(13)18(12-26-21)17-10-23-6-5-19(17)29-4;1-27(2)21(28)13-6-12(7-24-8-13)14-10-25-20-18(19(14)22)16(11-26-20)15-9-23-5-4-17(15)29-3/h6-13H,5H2,1-4H3,(H,26,27);4-12H,1-3H3,(H,25,26);4-11H,1-3H3,(H,28,29);4-6,8-12H,1-3H3,(H,26,27);3-10H,11H2,1-2H3,(H,25,26);5-12H,1-4H3,(H,25,26);5-12H,1-4H3,(H,25,26);4-11H,1-3H3,(H,25,26)
InChIKeyQYJNAKOKKDTQLE-UHFFFAOYSA-N
XLogP30.67
TPSA709.20 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003290.79
LogP ≤ 530.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(-c2cncc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12.CN(C)C(=O)c1cncc(-c2cnc3[nH]cc4c3c2OCc2nccc(C=O)c2-4)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Br)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C#N)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Cl)c12.COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(OC)c12.
What is the InChIKey of 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?
The InChIKey is QYJNAKOKKDTQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.C22H19BrN4O2.C22H18F3N5O2.C22H18N6O2.C22H17N5O3.C22H21N5O3.C22H21N5O2.C21H18ClN5O2/c1-5-16-17(14-8-15(10-25-9-14)23(29)28(2)3)12-26-22-21(16)19(13-27-22)18-11-24-7-6-20(18)30-4;1-27(2)22(28)14-8-13(9-24-10-14)16-11-25-21-19(20(16)23)17(12-26-21)15-6-4-5-7-18(15)29-3;1-30(2)21(31)13-6-12(7-27-8-13)14-10-28-20-18(19(14)22(23,24)25)16(11-29-20)15-9-26-5-4-17(15)32-3;1-28(2)22(29)14-6-13(8-25-9-14)16-11-26-21-20(15(16)7-23)18(12-27-21)17-10-24-5-4-19(17)30-3;1-27(2)22(29)14-5-13(6-23-7-14)15-8-25-21-19-16(9-26-21)18-12(10-28)3-4-24-17(18)11-30-20(15)19;1-27(2)22(28)14-7-13(8-24-9-14)15-11-25-21-19(20(15)30-4)17(12-26-21)16-10-23-6-5-18(16)29-3;1-13-16(14-7-15(9-24-8-14)22(28)27(2)3)11-25-21-20(13)18(12-26-21)17-10-23-6-5-19(17)29-4;1-27(2)21(28)13-6-12(7-24-8-13)14-10-25-20-18(19(14)22)16(11-26-20)15-9-23-5-4-17(15)29-3/h6-13H,5H2,1-4H3,(H,26,27);4-12H,1-3H3,(H,25,26);4-11H,1-3H3,(H,28,29);4-6,8-12H,1-3H3,(H,26,27);3-10H,11H2,1-2H3,(H,25,26);5-12H,1-4H3,(H,25,26);5-12H,1-4H3,(H,25,26);4-11H,1-3H3,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 3290.79 g/mol, XLogP of 30.67, 33 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160553520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).