bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C176H170N24O3S — CID 159267060

IUPACbis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(=O)[nH]2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1csc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1
InChIInChI=1S/2C23H23N3O.2C23H23N3.C22H21N3O.C22H21N3.C21H19N3.C19H17N3S/c2*1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22;2*1-16-5-7-18(8-6-16)9-11-21-12-10-19(17(2)26-21)14-20-15-25-23-22(20)4-3-13-24-23;1-15-4-6-16(7-5-15)8-10-19-11-9-17(22(26)25-19)13-18-14-24-21-20(18)3-2-12-23-21;1-16-4-6-17(7-5-16)8-10-20-11-9-18(14-24-20)13-19-15-25-22-21(19)3-2-12-23-22;1-2-5-16(6-3-1)8-10-19-11-9-17(14-23-19)13-18-15-24-21-20(18)7-4-12-22-21;1-4-18-15(13-22-19(18)20-9-1)11-14-5-6-16(21-12-14)7-8-17-3-2-10-23-17/h2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2-7,9,11-12,14H,8,10,13H2,1H3,(H,23,24)(H,25,26);2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,23,25);1-7,9,11-12,14-15H,8,10,13H2,(H,22,24);1-6,9-10,12-13H,7-8,11H2,(H,20,22)
InChIKeyKXFXXCIKKWWNCU-UHFFFAOYSA-N
MW2701.53 g/mol
LogP36.51
Rot. Bonds42

About bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159267060) has the molecular formula C176H170N24O3S and a molecular weight of 2701.53 g/mol. Its IUPAC name is bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namebis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID159267060
Molecular FormulaC176H170N24O3S
Molecular Weight2701.53 g/mol
Exact Mass2699.36
IUPAC Namebis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(=O)[nH]2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1csc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1
InChIInChI=1S/2C23H23N3O.2C23H23N3.C22H21N3O.C22H21N3.C21H19N3.C19H17N3S/c2*1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22;2*1-16-5-7-18(8-6-16)9-11-21-12-10-19(17(2)26-21)14-20-15-25-23-22(20)4-3-13-24-23;1-15-4-6-16(7-5-15)8-10-19-11-9-17(22(26)25-19)13-18-14-24-21-20(18)3-2-12-23-21;1-16-4-6-17(7-5-16)8-10-20-11-9-18(14-24-20)13-19-15-25-22-21(19)3-2-12-23-22;1-2-5-16(6-3-1)8-10-19-11-9-17(14-23-19)13-18-15-24-21-20(18)7-4-12-22-21;1-4-18-15(13-22-19(18)20-9-1)11-14-5-6-16(21-12-14)7-8-17-3-2-10-23-17/h2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2-7,9,11-12,14H,8,10,13H2,1H3,(H,23,24)(H,25,26);2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,23,25);1-7,9,11-12,14-15H,8,10,13H2,(H,22,24);1-6,9-10,12-13H,7-8,11H2,(H,20,22)
InChIKeyKXFXXCIKKWWNCU-UHFFFAOYSA-N
XLogP36.51
TPSA370.99 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds42
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002701.53
LogP ≤ 536.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157386127
bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157861303
N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 158323225
3,5-bis(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 158408057
N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158520657
3-(3,5-difluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2,4-difluoro-6-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;3-(3-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;2-fluoro-6-[4-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol;2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 158576009
N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide
CID 158946064
N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159410508
5-[6-(dimethylamino)-3-pyridinyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(2-methoxy-3-pyridinyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methyl 4-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159433237
5-(2-ethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole
CID 159519263
N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
CID 159810441
N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide
CID 160210207

Frequently Asked Questions

What is the IUPAC name of bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 159267060) is bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(=O)[nH]2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1csc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1.
What is the InChIKey of bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KXFXXCIKKWWNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N3O.2C23H23N3.C22H21N3O.C22H21N3.C21H19N3.C19H17N3S/c2*1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22;2*1-16-5-7-18(8-6-16)9-11-21-12-10-19(17(2)26-21)14-20-15-25-23-22(20)4-3-13-24-23;1-15-4-6-16(7-5-15)8-10-19-11-9-17(22(26)25-19)13-18-14-24-21-20(18)3-2-12-23-21;1-16-4-6-17(7-5-16)8-10-20-11-9-18(14-24-20)13-19-15-25-22-21(19)3-2-12-23-22;1-2-5-16(6-3-1)8-10-19-11-9-17(14-23-19)13-18-15-24-21-20(18)7-4-12-22-21;1-4-18-15(13-22-19(18)20-9-1)11-14-5-6-16(21-12-14)7-8-17-3-2-10-23-17/h2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2-7,9,11-12,14H,8,10,13H2,1H3,(H,23,24)(H,25,26);2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,23,25);1-7,9,11-12,14-15H,8,10,13H2,(H,22,24);1-6,9-10,12-13H,7-8,11H2,(H,20,22).
What are the key properties of bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2701.53 g/mol, XLogP of 36.51, 42 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159267060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).