tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone

C117H127N17O16S — CID 160946004

IUPACtert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
SMILESCCNC(=O)n1c(-c2ccc(OCC)cc2)cc2cccnc21.CCOc1ccc(-c2cc3cccn(C(=O)N(C(C)C)C(C)C)c-3n2)cc1.CCOc1ccc(-c2cc3cccn(C(=O)N(CC)CC)c-3n2)cc1.CCOc1ccc(-c2cc3cccnc3n2C(=O)N2CCN(S(C)(=O)=O)C2=O)cc1.CCOc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1.CCOc1ccc(-c2cc3cccnc3n2C(C)=O)cc1
InChIInChI=1S/C22H27N3O2.C20H20N4O5S.C20H23N3O2.C20H22N2O3.C18H19N3O2.C17H16N2O2/c1-6-27-19-11-9-17(10-12-19)20-14-18-8-7-13-24(21(18)23-20)22(26)25(15(2)3)16(4)5;1-3-29-16-8-6-14(7-9-16)17-13-15-5-4-10-21-18(15)24(17)20(26)22-11-12-23(19(22)25)30(2,27)28;1-4-22(5-2)20(24)23-13-7-8-16-14-18(21-19(16)23)15-9-11-17(12-10-15)25-6-3;1-5-24-16-10-8-14(9-11-16)17-13-15-7-6-12-21-18(15)22(17)19(23)25-20(2,3)4;1-3-19-18(22)21-16(12-14-6-5-11-20-17(14)21)13-7-9-15(10-8-13)23-4-2;1-3-21-15-8-6-13(7-9-15)16-11-14-5-4-10-18-17(14)19(16)12(2)20/h7-16H,6H2,1-5H3;4-10,13H,3,11-12H2,1-2H3;7-14H,4-6H2,1-3H3;6-13H,5H2,1-4H3;5-12H,3-4H2,1-2H3,(H,19,22);4-11H,3H2,1-2H3
InChIKeySVCQJZBUEVGAKO-UHFFFAOYSA-N
MW2059.47 g/mol
LogP24.60
Rot. Bonds24

About tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone

tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone (PubChem CID 160946004) has the molecular formula C117H127N17O16S and a molecular weight of 2059.47 g/mol. Its IUPAC name is tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Nametert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
PubChem CID160946004
Molecular FormulaC117H127N17O16S
Molecular Weight2059.47 g/mol
Exact Mass2057.94
IUPAC Nametert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
SMILESCCNC(=O)n1c(-c2ccc(OCC)cc2)cc2cccnc21.CCOc1ccc(-c2cc3cccn(C(=O)N(C(C)C)C(C)C)c-3n2)cc1.CCOc1ccc(-c2cc3cccn(C(=O)N(CC)CC)c-3n2)cc1.CCOc1ccc(-c2cc3cccnc3n2C(=O)N2CCN(S(C)(=O)=O)C2=O)cc1.CCOc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1.CCOc1ccc(-c2cc3cccnc3n2C(C)=O)cc1
InChIInChI=1S/C22H27N3O2.C20H20N4O5S.C20H23N3O2.C20H22N2O3.C18H19N3O2.C17H16N2O2/c1-6-27-19-11-9-17(10-12-19)20-14-18-8-7-13-24(21(18)23-20)22(26)25(15(2)3)16(4)5;1-3-29-16-8-6-14(7-9-16)17-13-15-5-4-10-21-18(15)24(17)20(26)22-11-12-23(19(22)25)30(2,27)28;1-4-22(5-2)20(24)23-13-7-8-16-14-18(21-19(16)23)15-9-11-17(12-10-15)25-6-3;1-5-24-16-10-8-14(9-11-16)17-13-15-7-6-12-21-18(15)22(17)19(23)25-20(2,3)4;1-3-19-18(22)21-16(12-14-6-5-11-20-17(14)21)13-7-9-15(10-8-13)23-4-2;1-3-21-15-8-6-13(7-9-15)16-11-14-5-4-10-18-17(14)19(16)12(2)20/h7-16H,6H2,1-5H3;4-10,13H,3,11-12H2,1-2H3;7-14H,4-6H2,1-3H3;6-13H,5H2,1-4H3;5-12H,3-4H2,1-2H3,(H,19,22);4-11H,3H2,1-2H3
InChIKeySVCQJZBUEVGAKO-UHFFFAOYSA-N
XLogP24.60
TPSA350.15 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.47
LogP ≤ 524.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone with MolForge

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Related Compounds

4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
1-(2-amino-2-methylpropyl)-4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-2-nitropropyl)pyridin-2-one;4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one;1-[[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]oxy]-2-methylpropan-2-amine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-[2-(2-methyl-2-nitropropoxy)-4-pyridinyl]imidazo[1,2-a]pyridine;(2-methyl-2-nitropropyl) trifluoromethanesulfonate
CID 158062193
7-Benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
CID 158942711
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 159669560
4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160065191
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 161299067
ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
CID 90882378
ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
CID 91444909
ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-piperidine];1-methylsulfonylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
CID 91516079
(E)-N-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]but-2-enamide;N-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]ethenesulfonamide;(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-yn-1-one
CID 157240192
tert-butyl 4-[3-(4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)phenyl]piperazine-1-carboxylate;N-[2-[4-(4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)phenoxy]ethyl]methanesulfonamide;12-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(1-methylpiperidin-4-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-pyrrolidin-1-ylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157939566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
The IUPAC name of tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone (CID 160946004) is tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone.
What is the SMILES notation for tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
The canonical SMILES for tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone is CCNC(=O)n1c(-c2ccc(OCC)cc2)cc2cccnc21.CCOc1ccc(-c2cc3cccn(C(=O)N(C(C)C)C(C)C)c-3n2)cc1.CCOc1ccc(-c2cc3cccn(C(=O)N(CC)CC)c-3n2)cc1.CCOc1ccc(-c2cc3cccnc3n2C(=O)N2CCN(S(C)(=O)=O)C2=O)cc1.CCOc1ccc(-c2cc3cccnc3n2C(=O)OC(C)(C)C)cc1.CCOc1ccc(-c2cc3cccnc3n2C(C)=O)cc1.
What is the InChIKey of tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
The InChIKey is SVCQJZBUEVGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.C20H20N4O5S.C20H23N3O2.C20H22N2O3.C18H19N3O2.C17H16N2O2/c1-6-27-19-11-9-17(10-12-19)20-14-18-8-7-13-24(21(18)23-20)22(26)25(15(2)3)16(4)5;1-3-29-16-8-6-14(7-9-16)17-13-15-5-4-10-21-18(15)24(17)20(26)22-11-12-23(19(22)25)30(2,27)28;1-4-22(5-2)20(24)23-13-7-8-16-14-18(21-19(16)23)15-9-11-17(12-10-15)25-6-3;1-5-24-16-10-8-14(9-11-16)17-13-15-7-6-12-21-18(15)22(17)19(23)25-20(2,3)4;1-3-19-18(22)21-16(12-14-6-5-11-20-17(14)21)13-7-9-15(10-8-13)23-4-2;1-3-21-15-8-6-13(7-9-15)16-11-14-5-4-10-18-17(14)19(16)12(2)20/h7-16H,6H2,1-5H3;4-10,13H,3,11-12H2,1-2H3;7-14H,4-6H2,1-3H3;6-13H,5H2,1-4H3;5-12H,3-4H2,1-2H3,(H,19,22);4-11H,3H2,1-2H3.
What are the key properties of tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone has a molecular weight of 2059.47 g/mol, XLogP of 24.60, 24 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 160946004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).