5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

C218H228F10N36O26 — CID 167537117

IUPAC5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COCCCCN4CCN(CCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COCCCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(F)(F)COc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COCCCCN4CCN(CCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COCCCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C44H40F2N8O6.C44H47F2N7O5.C44H49F2N7O4.C43H45F2N7O6.C43H47F2N7O5/c1-27-5-10-36(41(55)50-27)54-42(56)32-3-2-4-37(40(32)43(54)57)60-26-44(45,46)25-59-30-8-11-38(48-23-30)53-17-15-52(16-18-53)19-20-58-39-12-7-29(22-49-39)28-6-9-31-33-24-47-14-13-34(33)51-35(31)21-28;1-29-6-13-40(41(54)49-29)53-42(55)35-12-10-33(24-36(35)43(53)56)58-28-44(45,46)27-57-22-3-2-16-51-18-20-52(21-19-51)17-4-5-32-9-7-31(25-48-32)30-8-11-34-37-26-47-15-14-38(37)50-39(34)23-30;1-30-6-13-41(42(54)49-30)53-27-33-23-35(10-12-36(33)43(53)55)57-29-44(45,46)28-56-22-3-2-16-51-18-20-52(21-19-51)17-4-5-34-9-7-32(25-48-34)31-8-11-37-38-26-47-15-14-39(38)50-40(37)24-31;1-28-4-10-38(40(53)48-28)52-41(54)33-9-7-31(23-34(33)42(52)55)58-27-43(44,45)26-56-20-3-2-14-50-15-17-51(18-16-50)19-21-57-39-11-6-30(24-47-39)29-5-8-32-35-25-46-13-12-36(35)49-37(32)22-29;1-29-4-10-39(41(53)48-29)52-26-32-22-33(7-9-34(32)42(52)54)57-28-43(44,45)27-55-20-3-2-14-50-15-17-51(18-16-50)19-21-56-40-11-6-31(24-47-40)30-5-8-35-36-25-46-13-12-37(36)49-38(35)23-30/h2-4,6-9,11-14,21-24,36,51H,1,5,10,15-20,25-26H2,(H,50,55);7-12,14-15,23-26,40,50H,1-6,13,16-22,27-28H2,(H,49,54);7-12,14-15,23-26,41,50H,1-6,13,16-22,27-29H2,(H,49,54);5-9,11-13,22-25,38,49H,1-4,10,14-21,26-27H2,(H,48,53);5-9,11-13,22-25,39,49H,1-4,10,14-21,26-28H2,(H,48,53)
InChIKeyARUTWUWKXFUEBS-UHFFFAOYSA-N
MW3958.43 g/mol
LogP30.38
Rot. Bonds77

About 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 167537117) has the molecular formula C218H228F10N36O26 and a molecular weight of 3958.43 g/mol. Its IUPAC name is 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID167537117
Molecular FormulaC218H228F10N36O26
Molecular Weight3958.43 g/mol
Exact Mass3955.75
IUPAC Name5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COCCCCN4CCN(CCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COCCCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(F)(F)COc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COCCCCN4CCN(CCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COCCCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C44H40F2N8O6.C44H47F2N7O5.C44H49F2N7O4.C43H45F2N7O6.C43H47F2N7O5/c1-27-5-10-36(41(55)50-27)54-42(56)32-3-2-4-37(40(32)43(54)57)60-26-44(45,46)25-59-30-8-11-38(48-23-30)53-17-15-52(16-18-53)19-20-58-39-12-7-29(22-49-39)28-6-9-31-33-24-47-14-13-34(33)51-35(31)21-28;1-29-6-13-40(41(54)49-29)53-42(55)35-12-10-33(24-36(35)43(53)56)58-28-44(45,46)27-57-22-3-2-16-51-18-20-52(21-19-51)17-4-5-32-9-7-31(25-48-32)30-8-11-34-37-26-47-15-14-38(37)50-39(34)23-30;1-30-6-13-41(42(54)49-30)53-27-33-23-35(10-12-36(33)43(53)55)57-29-44(45,46)28-56-22-3-2-16-51-18-20-52(21-19-51)17-4-5-34-9-7-32(25-48-34)31-8-11-37-38-26-47-15-14-39(38)50-40(37)24-31;1-28-4-10-38(40(53)48-28)52-41(54)33-9-7-31(23-34(33)42(52)55)58-27-43(44,45)26-56-20-3-2-14-50-15-17-51(18-16-50)19-21-57-39-11-6-30(24-47-39)29-5-8-32-35-25-46-13-12-36(35)49-37(32)22-29;1-29-4-10-39(41(53)48-29)52-26-32-22-33(7-9-34(32)42(52)54)57-28-43(44,45)27-55-20-3-2-14-50-15-17-51(18-16-50)19-21-56-40-11-6-31(24-47-40)30-5-8-35-36-25-46-13-12-37(36)49-38(35)23-30/h2-4,6-9,11-14,21-24,36,51H,1,5,10,15-20,25-26H2,(H,50,55);7-12,14-15,23-26,40,50H,1-6,13,16-22,27-28H2,(H,49,54);7-12,14-15,23-26,41,50H,1-6,13,16-22,27-29H2,(H,49,54);5-9,11-13,22-25,38,49H,1-4,10,14-21,26-27H2,(H,48,53);5-9,11-13,22-25,39,49H,1-4,10,14-21,26-28H2,(H,48,53)
InChIKeyARUTWUWKXFUEBS-UHFFFAOYSA-N
XLogP30.38
TPSA671.39 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds77
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003958.43
LogP ≤ 530.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

Noradrenaline N-Methyltransferase
CID 167625142
3-[6-[3-[2-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]-6-(trifluoromethyl)pyridin-4-yl]prop-2-ynoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134481382
5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 157067687
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
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
[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one
CID 157386988
5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate
CID 157454284
3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methoxy-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)amino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 157753450
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methanone
CID 157863277
N-[5-(2,4-difluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(2,4-difluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[3-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[3-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
CID 157875386
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 167537117) is 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COCCCCN4CCN(CCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COCCCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(F)(F)COc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COCCCCN4CCN(CCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COCCCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is ARUTWUWKXFUEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40F2N8O6.C44H47F2N7O5.C44H49F2N7O4.C43H45F2N7O6.C43H47F2N7O5/c1-27-5-10-36(41(55)50-27)54-42(56)32-3-2-4-37(40(32)43(54)57)60-26-44(45,46)25-59-30-8-11-38(48-23-30)53-17-15-52(16-18-53)19-20-58-39-12-7-29(22-49-39)28-6-9-31-33-24-47-14-13-34(33)51-35(31)21-28;1-29-6-13-40(41(54)49-29)53-42(55)35-12-10-33(24-36(35)43(53)56)58-28-44(45,46)27-57-22-3-2-16-51-18-20-52(21-19-51)17-4-5-32-9-7-31(25-48-32)30-8-11-34-37-26-47-15-14-38(37)50-39(34)23-30;1-30-6-13-41(42(54)49-30)53-27-33-23-35(10-12-36(33)43(53)55)57-29-44(45,46)28-56-22-3-2-16-51-18-20-52(21-19-51)17-4-5-34-9-7-32(25-48-34)31-8-11-37-38-26-47-15-14-39(38)50-40(37)24-31;1-28-4-10-38(40(53)48-28)52-41(54)33-9-7-31(23-34(33)42(52)55)58-27-43(44,45)26-56-20-3-2-14-50-15-17-51(18-16-50)19-21-57-39-11-6-30(24-47-39)29-5-8-32-35-25-46-13-12-36(35)49-37(32)22-29;1-29-4-10-39(41(53)48-29)52-26-32-22-33(7-9-34(32)42(52)54)57-28-43(44,45)27-55-20-3-2-14-50-15-17-51(18-16-50)19-21-56-40-11-6-31(24-47-40)30-5-8-35-36-25-46-13-12-37(36)49-38(35)23-30/h2-4,6-9,11-14,21-24,36,51H,1,5,10,15-20,25-26H2,(H,50,55);7-12,14-15,23-26,40,50H,1-6,13,16-22,27-28H2,(H,49,54);7-12,14-15,23-26,41,50H,1-6,13,16-22,27-29H2,(H,49,54);5-9,11-13,22-25,38,49H,1-4,10,14-21,26-27H2,(H,48,53);5-9,11-13,22-25,39,49H,1-4,10,14-21,26-28H2,(H,48,53).
What are the key properties of 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 3958.43 g/mol, XLogP of 30.38, 77 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 167537117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).