2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C131H150F2N24O27 — CID 160895804

IUPAC2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCO.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.NCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)CN1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)CN1.[N-]=[N+]=NCCOCCOCCOCCOCCO.[N-]=[N+]=NCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C39H42N6O8.C26H30N6O5.C26H32N4O5.C16H10FN3.C13H11FN2O3.C10H21N3O5.CH4O/c46-35-8-6-28(24-42-35)45-38(47)30-2-1-3-33(37(30)39(45)48)41-12-13-49-14-15-50-16-17-51-18-19-52-20-21-53-36-9-5-27(23-43-36)26-4-7-29-31-25-40-11-10-32(31)44-34(29)22-26;27-32-30-7-8-33-9-10-34-11-12-35-13-14-36-15-16-37-26-4-2-21(18-29-26)20-1-3-22-23-19-28-6-5-24(23)31-25(22)17-20;27-6-8-31-9-10-32-11-12-33-13-14-34-15-16-35-26-4-2-21(18-29-26)20-1-3-22-23-19-28-7-5-24(23)30-25(22)17-20;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;14-9-3-1-2-8-11(9)13(19)16(12(8)18)7-4-5-10(17)15-6-7;11-13-12-1-3-15-5-7-17-9-10-18-8-6-16-4-2-14;1-2/h1-5,7,9-11,22-23,25,28,41,44H,6,8,12-21,24H2,(H,42,46);1-6,17-19,31H,7-16H2;1-5,7,17-19,30H,6,8-16,27H2;1-9,20H;1-3,7H,4-6H2,(H,15,17);14H,1-10H2;2H,1H3
InChIKeySOVZWPNASUKNLV-UHFFFAOYSA-N
MW2530.78 g/mol
LogP16.51
Rot. Bonds68

About 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 160895804) has the molecular formula C131H150F2N24O27 and a molecular weight of 2530.78 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID160895804
Molecular FormulaC131H150F2N24O27
Molecular Weight2530.78 g/mol
Exact Mass2529.11
IUPAC Name2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCO.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.NCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)CN1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)CN1.[N-]=[N+]=NCCOCCOCCOCCOCCO.[N-]=[N+]=NCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C39H42N6O8.C26H30N6O5.C26H32N4O5.C16H10FN3.C13H11FN2O3.C10H21N3O5.CH4O/c46-35-8-6-28(24-42-35)45-38(47)30-2-1-3-33(37(30)39(45)48)41-12-13-49-14-15-50-16-17-51-18-19-52-20-21-53-36-9-5-27(23-43-36)26-4-7-29-31-25-40-11-10-32(31)44-34(29)22-26;27-32-30-7-8-33-9-10-34-11-12-35-13-14-36-15-16-37-26-4-2-21(18-29-26)20-1-3-22-23-19-28-6-5-24(23)31-25(22)17-20;27-6-8-31-9-10-32-11-12-33-13-14-34-15-16-35-26-4-2-21(18-29-26)20-1-3-22-23-19-28-7-5-24(23)30-25(22)17-20;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;14-9-3-1-2-8-11(9)13(19)16(12(8)18)7-4-5-10(17)15-6-7;11-13-12-1-3-15-5-7-17-9-10-18-8-6-16-4-2-14;1-2/h1-5,7,9-11,22-23,25,28,41,44H,6,8,12-21,24H2,(H,42,46);1-6,17-19,31H,7-16H2;1-5,7,17-19,30H,6,8-16,27H2;1-9,20H;1-3,7H,4-6H2,(H,15,17);14H,1-10H2;2H,1H3
InChIKeySOVZWPNASUKNLV-UHFFFAOYSA-N
XLogP16.51
TPSA650.64 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds68
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002530.78
LogP ≤ 516.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine with MolForge

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Related Compounds

Tert-butyl 4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;methane;5-methyl-7-[6-(3-piperazin-1-ylpropyl)-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 157223228
(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(2-cyclopropylacetyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-fluoro-5-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide
CID 157549720
2-[4-[6-(5,6-diethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-diethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
CID 158576486
Tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride
CID 158721858
7-[6-[3-(6,6-Dimethoxyhexoxy)cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;bis(6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal);2-(trifluoromethyl)piperazine
CID 159734842
tert-butyl-dimethyl-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane;tert-butyl-dimethyl-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane;tert-butyl 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 161173756
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide
CID 161337443
tert-butyl 7-[6-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-4,6,7-trifluoro-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylate;tert-butyl 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4,5,7-trifluoro-6-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4,5,7-trifluoro-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetaldehyde
CID 161604781
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 167558654
CID 167560542
CID 167560542
CID 167572136
CID 167572136
CID 167588853
CID 167588853

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 160895804) is 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CO.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.NCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)CN1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)CN1.[N-]=[N+]=NCCOCCOCCOCCOCCO.[N-]=[N+]=NCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is SOVZWPNASUKNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N6O8.C26H30N6O5.C26H32N4O5.C16H10FN3.C13H11FN2O3.C10H21N3O5.CH4O/c46-35-8-6-28(24-42-35)45-38(47)30-2-1-3-33(37(30)39(45)48)41-12-13-49-14-15-50-16-17-51-18-19-52-20-21-53-36-9-5-27(23-43-36)26-4-7-29-31-25-40-11-10-32(31)44-34(29)22-26;27-32-30-7-8-33-9-10-34-11-12-35-13-14-36-15-16-37-26-4-2-21(18-29-26)20-1-3-22-23-19-28-6-5-24(23)31-25(22)17-20;27-6-8-31-9-10-32-11-12-33-13-14-34-15-16-35-26-4-2-21(18-29-26)20-1-3-22-23-19-28-7-5-24(23)30-25(22)17-20;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;14-9-3-1-2-8-11(9)13(19)16(12(8)18)7-4-5-10(17)15-6-7;11-13-12-1-3-15-5-7-17-9-10-18-8-6-16-4-2-14;1-2/h1-5,7,9-11,22-23,25,28,41,44H,6,8,12-21,24H2,(H,42,46);1-6,17-19,31H,7-16H2;1-5,7,17-19,30H,6,8-16,27H2;1-9,20H;1-3,7H,4-6H2,(H,15,17);14H,1-10H2;2H,1H3.
What are the key properties of 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 2530.78 g/mol, XLogP of 16.51, 68 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 160895804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).