5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine

C236H255BrF2N50O24 — CID 167672928

IUPAC5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine
SMILESCC.CN(C)c1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)ncc43)cc12.CN(C)c1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCNCC6)CC5)ncc43)cc12.Nc1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)ncc43)cc12.Nc1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCNCC6)CC5)ncc43)cc12.O=C(OCc1ccccc1)N1CCN(CCC2CCN(c3cc4cc[nH]c4cn3)CC2)CC1.O=C(OCc1ccccc1)N1CCN(CCC2CCN(c3cc4ccn(-c5cc6c([N+](=O)[O-])cccc6cn5)c4cn3)CC2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=[N+]([O-])c1cccc2cnc(Br)cc12
InChIInChI=1S/C42H45N9O4.C40H41N9O4.C35H37N7O4.C29H37N7.C27H33N7.C26H33N5O2.2C13H9FN2O4.C9H5BrN2O2.C2H6/c1-46(2)34-5-3-4-29-25-43-38(24-32(29)34)50-17-13-28-22-37(44-26-36(28)50)49-15-11-27(12-16-49)10-14-47-18-20-48(21-19-47)30-6-7-31-33(23-30)42(55)51(41(31)54)35-8-9-39(52)45-40(35)53;41-32-3-1-2-27-23-42-36(22-30(27)32)48-15-11-26-20-35(43-24-34(26)48)47-13-9-25(10-14-47)8-12-45-16-18-46(19-17-45)28-4-5-29-31(21-28)40(53)49(39(29)52)33-6-7-37(50)44-38(33)51;43-35(46-25-27-5-2-1-3-6-27)40-19-17-38(18-20-40)13-9-26-10-14-39(15-11-26)33-21-28-12-16-41(32(28)24-37-33)34-22-30-29(23-36-34)7-4-8-31(30)42(44)45;1-33(2)26-5-3-4-24-20-31-29(19-25(24)26)36-15-9-23-18-28(32-21-27(23)36)35-13-7-22(8-14-35)6-12-34-16-10-30-11-17-34;28-24-3-1-2-22-18-30-27(17-23(22)24)34-13-7-21-16-26(31-19-25(21)34)33-11-5-20(6-12-33)4-10-32-14-8-29-9-15-32;32-26(33-20-22-4-2-1-3-5-22)31-16-14-29(15-17-31)11-7-21-8-12-30(13-9-21)25-18-23-6-10-27-24(23)19-28-25;2*14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;10-9-4-7-6(5-11-9)2-1-3-8(7)12(13)14;1-2/h3-7,13,17,22-27,35H,8-12,14-16,18-21H2,1-2H3,(H,45,52,53);1-5,11,15,20-25,33H,6-10,12-14,16-19,41H2,(H,44,50,51);1-8,12,16,21-24,26H,9-11,13-15,17-20,25H2;3-5,9,15,18-22,30H,6-8,10-14,16-17H2,1-2H3;1-3,7,13,16-20,29H,4-6,8-12,14-15,28H2;1-6,10,18-19,21,27H,7-9,11-17,20H2;2*1-2,5,9H,3-4H2,(H,15,17,18);1-5H;1-2H3
InChIKeyUJWADENNLAQIPM-UHFFFAOYSA-N
MW4293.86 g/mol
LogP30.83
Rot. Bonds43

About 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine

5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine (PubChem CID 167672928) has the molecular formula C236H255BrF2N50O24 and a molecular weight of 4293.86 g/mol. Its IUPAC name is 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine.

Molecular Properties

Compound Name5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine
PubChem CID167672928
Molecular FormulaC236H255BrF2N50O24
Molecular Weight4293.86 g/mol
Exact Mass4289.94
IUPAC Name5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine
SMILESCC.CN(C)c1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)ncc43)cc12.CN(C)c1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCNCC6)CC5)ncc43)cc12.Nc1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)ncc43)cc12.Nc1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCNCC6)CC5)ncc43)cc12.O=C(OCc1ccccc1)N1CCN(CCC2CCN(c3cc4cc[nH]c4cn3)CC2)CC1.O=C(OCc1ccccc1)N1CCN(CCC2CCN(c3cc4ccn(-c5cc6c([N+](=O)[O-])cccc6cn5)c4cn3)CC2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=[N+]([O-])c1cccc2cnc(Br)cc12
InChIInChI=1S/C42H45N9O4.C40H41N9O4.C35H37N7O4.C29H37N7.C27H33N7.C26H33N5O2.2C13H9FN2O4.C9H5BrN2O2.C2H6/c1-46(2)34-5-3-4-29-25-43-38(24-32(29)34)50-17-13-28-22-37(44-26-36(28)50)49-15-11-27(12-16-49)10-14-47-18-20-48(21-19-47)30-6-7-31-33(23-30)42(55)51(41(31)54)35-8-9-39(52)45-40(35)53;41-32-3-1-2-27-23-42-36(22-30(27)32)48-15-11-26-20-35(43-24-34(26)48)47-13-9-25(10-14-47)8-12-45-16-18-46(19-17-45)28-4-5-29-31(21-28)40(53)49(39(29)52)33-6-7-37(50)44-38(33)51;43-35(46-25-27-5-2-1-3-6-27)40-19-17-38(18-20-40)13-9-26-10-14-39(15-11-26)33-21-28-12-16-41(32(28)24-37-33)34-22-30-29(23-36-34)7-4-8-31(30)42(44)45;1-33(2)26-5-3-4-24-20-31-29(19-25(24)26)36-15-9-23-18-28(32-21-27(23)36)35-13-7-22(8-14-35)6-12-34-16-10-30-11-17-34;28-24-3-1-2-22-18-30-27(17-23(22)24)34-13-7-21-16-26(31-19-25(21)34)33-11-5-20(6-12-33)4-10-32-14-8-29-9-15-32;32-26(33-20-22-4-2-1-3-5-22)31-16-14-29(15-17-31)11-7-21-8-12-30(13-9-21)25-18-23-6-10-27-24(23)19-28-25;2*14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;10-9-4-7-6(5-11-9)2-1-3-8(7)12(13)14;1-2/h3-7,13,17,22-27,35H,8-12,14-16,18-21H2,1-2H3,(H,45,52,53);1-5,11,15,20-25,33H,6-10,12-14,16-19,41H2,(H,44,50,51);1-8,12,16,21-24,26H,9-11,13-15,17-20,25H2;3-5,9,15,18-22,30H,6-8,10-14,16-17H2,1-2H3;1-3,7,13,16-20,29H,4-6,8-12,14-15,28H2;1-6,10,18-19,21,27H,7-9,11-17,20H2;2*1-2,5,9H,3-4H2,(H,15,17,18);1-5H;1-2H3
InChIKeyUJWADENNLAQIPM-UHFFFAOYSA-N
XLogP30.83
TPSA802.62 Ų
H-Bond Donors9
H-Bond Acceptors61
Rotatable Bonds43
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004293.86
LogP ≤ 530.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1061

Analyze 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine with MolForge

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Related Compounds

CID 160252021
CID 160252021
Benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 167584905
benzyl 4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;2-(2,4-dioxocyclohexyl)-5-fluoroisoindole-1,3-dione;methanol
CID 167634996
3-bromo-4-nitropyridine;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[3,5-difluoro-4-(6-fluoro-3-pyridinyl)phenyl]boronic acid;6,8-difluoro-7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;5-(2,6-difluoro-4-methylphenyl)-2-fluoropyridine;5-[4-[2-[1-[5-(6,8-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2,6-difluoro-4-(4-nitro-3-pyridinyl)phenyl]-2-fluoropyridine;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]isoindole-1,3-dione;iodomethane
CID 167636867
Benzyl 4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;2-bromopyrimido[1,2-a]benzimidazole;4-(2,2-dimethoxyethyl)piperidine;4-(2,2-dimethoxyethyl)-1-piperidin-4-ylpiperidine;2-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[1-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)piperidin-4-yl]acetaldehyde
CID 167648105

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine?
The IUPAC name of 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine (CID 167672928) is 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine.
What is the SMILES notation for 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine?
The canonical SMILES for 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine is CC.CN(C)c1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)ncc43)cc12.CN(C)c1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCNCC6)CC5)ncc43)cc12.Nc1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)ncc43)cc12.Nc1cccc2cnc(-n3ccc4cc(N5CCC(CCN6CCNCC6)CC5)ncc43)cc12.O=C(OCc1ccccc1)N1CCN(CCC2CCN(c3cc4cc[nH]c4cn3)CC2)CC1.O=C(OCc1ccccc1)N1CCN(CCC2CCN(c3cc4ccn(-c5cc6c([N+](=O)[O-])cccc6cn5)c4cn3)CC2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=[N+]([O-])c1cccc2cnc(Br)cc12.
What is the InChIKey of 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine?
The InChIKey is UJWADENNLAQIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N9O4.C40H41N9O4.C35H37N7O4.C29H37N7.C27H33N7.C26H33N5O2.2C13H9FN2O4.C9H5BrN2O2.C2H6/c1-46(2)34-5-3-4-29-25-43-38(24-32(29)34)50-17-13-28-22-37(44-26-36(28)50)49-15-11-27(12-16-49)10-14-47-18-20-48(21-19-47)30-6-7-31-33(23-30)42(55)51(41(31)54)35-8-9-39(52)45-40(35)53;41-32-3-1-2-27-23-42-36(22-30(27)32)48-15-11-26-20-35(43-24-34(26)48)47-13-9-25(10-14-47)8-12-45-16-18-46(19-17-45)28-4-5-29-31(21-28)40(53)49(39(29)52)33-6-7-37(50)44-38(33)51;43-35(46-25-27-5-2-1-3-6-27)40-19-17-38(18-20-40)13-9-26-10-14-39(15-11-26)33-21-28-12-16-41(32(28)24-37-33)34-22-30-29(23-36-34)7-4-8-31(30)42(44)45;1-33(2)26-5-3-4-24-20-31-29(19-25(24)26)36-15-9-23-18-28(32-21-27(23)36)35-13-7-22(8-14-35)6-12-34-16-10-30-11-17-34;28-24-3-1-2-22-18-30-27(17-23(22)24)34-13-7-21-16-26(31-19-25(21)34)33-11-5-20(6-12-33)4-10-32-14-8-29-9-15-32;32-26(33-20-22-4-2-1-3-5-22)31-16-14-29(15-17-31)11-7-21-8-12-30(13-9-21)25-18-23-6-10-27-24(23)19-28-25;2*14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;10-9-4-7-6(5-11-9)2-1-3-8(7)12(13)14;1-2/h3-7,13,17,22-27,35H,8-12,14-16,18-21H2,1-2H3,(H,45,52,53);1-5,11,15,20-25,33H,6-10,12-14,16-19,41H2,(H,44,50,51);1-8,12,16,21-24,26H,9-11,13-15,17-20,25H2;3-5,9,15,18-22,30H,6-8,10-14,16-17H2,1-2H3;1-3,7,13,16-20,29H,4-6,8-12,14-15,28H2;1-6,10,18-19,21,27H,7-9,11-17,20H2;2*1-2,5,9H,3-4H2,(H,15,17,18);1-5H;1-2H3.
What are the key properties of 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine?
5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine has a molecular weight of 4293.86 g/mol, XLogP of 30.83, 43 rotatable bonds, 9 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[1-[1-(5-aminoisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 4-[2-[1-[1-(5-nitroisoquinolin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;benzyl 4-[2-[1-(1H-pyrrolo[2,3-c]pyridin-5-yl)piperidin-4-yl]ethyl]piperazine-1-carboxylate;3-bromo-5-nitroisoquinoline;5-[4-[2-[1-[1-[5-(dimethylamino)isoquinolin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N,N-dimethyl-3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine;bis(2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione);ethane;3-[5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrrolo[2,3-c]pyridin-1-yl]isoquinolin-5-amine is sourced from PubChem (CID 167672928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).