4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline

C168H139ClF4N28 — CID 157122675

IUPAC4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline
SMILESCCc1ccc(C#Cc2cc3cccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3c(F)ccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cc(F)cnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccc(Cl)nc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccc(F)nc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccncc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cnccc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ncccc3[nH]2)cc1.Fc1cccc(C#Cc2cc3cccnc3[nH]2)c1
InChIInChI=1S/C17H14ClN3.3C17H14FN3.4C17H15N3.C17H14N2.C15H9FN2/c2*1-21(2)15-8-4-12(5-9-15)3-7-14-11-13-6-10-16(18)20-17(13)19-14;1-21(2)16-7-4-12(5-8-16)3-6-15-10-13-9-14(18)11-19-17(13)20-15;1-21(2)14-7-4-12(5-8-14)3-6-13-11-15-16(18)9-10-19-17(15)20-13;1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-12-18-10-9-17(14)19-15;1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-9-10-18-12-17(14)19-15;1-20(2)15-9-6-13(7-10-15)5-8-14-12-17-16(19-14)4-3-11-18-17;1-20(2)16-9-6-13(7-10-16)5-8-15-12-14-4-3-11-18-17(14)19-15;1-2-13-5-7-14(8-6-13)9-10-16-12-15-4-3-11-18-17(15)19-16;16-13-5-1-3-11(9-13)6-7-14-10-12-4-2-8-17-15(12)18-14/h2*4-6,8-11H,1-2H3,(H,19,20);2*4-5,7-11H,1-2H3,(H,19,20);2*4-5,7-12,19H,1-2H3;3-4,6-7,9-12,19H,1-2H3;3-4,6-7,9-12H,1-2H3,(H,18,19);3-8,11-12H,2H2,1H3,(H,18,19);1-5,8-10H,(H,17,18)
InChIKeyAIDSQYVDAGMSLE-UHFFFAOYSA-N
MW2661.60 g/mol
LogP31.93
Rot. Bonds9

About 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline

4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline (PubChem CID 157122675) has the molecular formula C168H139ClF4N28 and a molecular weight of 2661.60 g/mol. Its IUPAC name is 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline
PubChem CID157122675
Molecular FormulaC168H139ClF4N28
Molecular Weight2661.60 g/mol
Exact Mass2659.14
IUPAC Name4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline
SMILESCCc1ccc(C#Cc2cc3cccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3c(F)ccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cc(F)cnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccc(Cl)nc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccc(F)nc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccncc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cnccc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ncccc3[nH]2)cc1.Fc1cccc(C#Cc2cc3cccnc3[nH]2)c1
InChIInChI=1S/C17H14ClN3.3C17H14FN3.4C17H15N3.C17H14N2.C15H9FN2/c2*1-21(2)15-8-4-12(5-9-15)3-7-14-11-13-6-10-16(18)20-17(13)19-14;1-21(2)16-7-4-12(5-8-16)3-6-15-10-13-9-14(18)11-19-17(13)20-15;1-21(2)14-7-4-12(5-8-14)3-6-13-11-15-16(18)9-10-19-17(15)20-13;1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-12-18-10-9-17(14)19-15;1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-9-10-18-12-17(14)19-15;1-20(2)15-9-6-13(7-10-15)5-8-14-12-17-16(19-14)4-3-11-18-17;1-20(2)16-9-6-13(7-10-16)5-8-15-12-14-4-3-11-18-17(14)19-15;1-2-13-5-7-14(8-6-13)9-10-16-12-15-4-3-11-18-17(15)19-16;16-13-5-1-3-11(9-13)6-7-14-10-12-4-2-8-17-15(12)18-14/h2*4-6,8-11H,1-2H3,(H,19,20);2*4-5,7-11H,1-2H3,(H,19,20);2*4-5,7-12,19H,1-2H3;3-4,6-7,9-12,19H,1-2H3;3-4,6-7,9-12H,1-2H3,(H,18,19);3-8,11-12H,2H2,1H3,(H,18,19);1-5,8-10H,(H,17,18)
InChIKeyAIDSQYVDAGMSLE-UHFFFAOYSA-N
XLogP31.93
TPSA312.72 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.60
LogP ≤ 531.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline with MolForge

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Related Compounds

2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
4-[6-[2-[(2-chloroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,5-difluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035490
4-amino-6-[[(1S)-1-[3-chloro-6-[3-[6-[[(1R)-1-[3-chloro-6-[3-[6-[[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]-9H-purin-8-yl]phenyl]imidazo[1,2-b]pyridazin-7-yl]propyl]amino]-9H-purin-8-yl]-5-fluorophenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 138602694
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
2-[4-[3-[[2-[3-[3-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]phenyl]-9H-purin-6-yl]amino]phenyl]-6-(trifluoromethyl)-2-pyridinyl]-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine
CID 155249069
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 157209259
6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 157213669
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole)
CID 157224700
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157373883
2-[[(1R)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[2-(methylamino)ethylamino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[[(3S)-pyrrolidin-3-yl]amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 157421109
5-[4-[[3,5-Bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;9-[4-[[3,5-bis[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;9-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[3,4-b]indol-9-ylphenyl)propan-2-yl]phenyl]pyrido[3,4-b]indole;8-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]propan-2-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[4-[1-(4-pyrido[3,2-b]indol-5-ylphenyl)cyclohexyl]phenyl]pyrido[3,2-b]indole;9-[4-[1-(4-pyrido[2,3-b]indol-9-ylphenyl)cyclohexyl]phenyl]pyrido[3,4-b]indole;5-[4-[2-[4-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[3,2-b]indole
CID 157456165
1-[4,6-Bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 157458102

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline (CID 157122675) is 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline is CCc1ccc(C#Cc2cc3cccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3c(F)ccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cc(F)cnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccc(Cl)nc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccc(F)nc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cccnc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ccncc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3cnccc3[nH]2)cc1.CN(C)c1ccc(C#Cc2cc3ncccc3[nH]2)cc1.Fc1cccc(C#Cc2cc3cccnc3[nH]2)c1.
What is the InChIKey of 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline?
The InChIKey is AIDSQYVDAGMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3.3C17H14FN3.4C17H15N3.C17H14N2.C15H9FN2/c2*1-21(2)15-8-4-12(5-9-15)3-7-14-11-13-6-10-16(18)20-17(13)19-14;1-21(2)16-7-4-12(5-8-16)3-6-15-10-13-9-14(18)11-19-17(13)20-15;1-21(2)14-7-4-12(5-8-14)3-6-13-11-15-16(18)9-10-19-17(15)20-13;1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-12-18-10-9-17(14)19-15;1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-9-10-18-12-17(14)19-15;1-20(2)15-9-6-13(7-10-15)5-8-14-12-17-16(19-14)4-3-11-18-17;1-20(2)16-9-6-13(7-10-16)5-8-15-12-14-4-3-11-18-17(14)19-15;1-2-13-5-7-14(8-6-13)9-10-16-12-15-4-3-11-18-17(15)19-16;16-13-5-1-3-11(9-13)6-7-14-10-12-4-2-8-17-15(12)18-14/h2*4-6,8-11H,1-2H3,(H,19,20);2*4-5,7-11H,1-2H3,(H,19,20);2*4-5,7-12,19H,1-2H3;3-4,6-7,9-12,19H,1-2H3;3-4,6-7,9-12H,1-2H3,(H,18,19);3-8,11-12H,2H2,1H3,(H,18,19);1-5,8-10H,(H,17,18).
What are the key properties of 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline?
4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline has a molecular weight of 2661.60 g/mol, XLogP of 31.93, 9 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)ethynyl]aniline;N,N-dimethyl-4-[2-(1H-pyrrolo[3,2-c]pyridin-2-yl)ethynyl]aniline;2-[2-(4-ethylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;2-[2-(3-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;4-[2-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline;4-[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 157122675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).