tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one

C148H164F3N27O16 — CID 162040380

IUPACtert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one
SMILESCCN(CC)CCNc1ccc2ncn3c4cc5c(cc4c(=O)c1c23)NC(=O)C5.CCN(CC)CCNc1ccc2ncn3c4cc5cc[nH]c5cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(NC(=O)c5cccc(C(F)(F)F)c5)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)C(C)(C)C)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)OC(C)(C)C)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OCOC(=O)C(C)(C)C)cc4c(=O)c1c23
InChIInChI=1S/C28H26F3N5O2.C26H32N4O4.C25H30N4O4.C25H30N4O3.C22H23N5O2.C22H23N5O/c1-3-35(4-2)13-12-32-21-9-10-22-25-24(21)26(37)20-15-19(8-11-23(20)36(25)16-33-22)34-27(38)17-6-5-7-18(14-17)28(29,30)31;1-6-29(7-2)13-12-27-19-9-10-20-23-22(19)24(31)18-14-17(8-11-21(18)30(23)15-28-20)33-16-34-25(32)26(3,4)5;1-6-28(7-2)13-12-26-18-9-10-19-22-21(18)23(30)17-14-16(32-24(31)33-25(3,4)5)8-11-20(17)29(22)15-27-19;1-6-28(7-2)13-12-26-18-9-10-19-22-21(18)23(30)17-14-16(32-24(31)25(3,4)5)8-11-20(17)29(22)15-27-19;1-3-26(4-2)8-7-23-15-5-6-16-21-20(15)22(29)14-11-17-13(10-19(28)25-17)9-18(14)27(21)12-24-16;1-3-26(4-2)10-9-24-16-5-6-17-21-20(16)22(28)15-12-18-14(7-8-23-18)11-19(15)27(21)13-25-17/h5-11,14-16,32H,3-4,12-13H2,1-2H3,(H,34,38);8-11,14-15,27H,6-7,12-13,16H2,1-5H3;8-11,14-15,26H,6-7,12-13H2,1-5H3;8-11,14-15,26H,6-7,12-13H2,1-5H3;5-6,9,11-12,23H,3-4,7-8,10H2,1-2H3,(H,25,28);5-8,11-13,23-24H,3-4,9-10H2,1-2H3
InChIKeyYXEWHRNNZQTVJD-UHFFFAOYSA-N
MW2634.11 g/mol
LogP24.59
Rot. Bonds43

About tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one

tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one (PubChem CID 162040380) has the molecular formula C148H164F3N27O16 and a molecular weight of 2634.11 g/mol. Its IUPAC name is tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one.

Molecular Properties

Compound Nametert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one
PubChem CID162040380
Molecular FormulaC148H164F3N27O16
Molecular Weight2634.11 g/mol
Exact Mass2632.28
IUPAC Nametert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one
SMILESCCN(CC)CCNc1ccc2ncn3c4cc5c(cc4c(=O)c1c23)NC(=O)C5.CCN(CC)CCNc1ccc2ncn3c4cc5cc[nH]c5cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(NC(=O)c5cccc(C(F)(F)F)c5)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)C(C)(C)C)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)OC(C)(C)C)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OCOC(=O)C(C)(C)C)cc4c(=O)c1c23
InChIInChI=1S/C28H26F3N5O2.C26H32N4O4.C25H30N4O4.C25H30N4O3.C22H23N5O2.C22H23N5O/c1-3-35(4-2)13-12-32-21-9-10-22-25-24(21)26(37)20-15-19(8-11-23(20)36(25)16-33-22)34-27(38)17-6-5-7-18(14-17)28(29,30)31;1-6-29(7-2)13-12-27-19-9-10-20-23-22(19)24(31)18-14-17(8-11-21(18)30(23)15-28-20)33-16-34-25(32)26(3,4)5;1-6-28(7-2)13-12-26-18-9-10-19-22-21(18)23(30)17-14-16(32-24(31)33-25(3,4)5)8-11-20(17)29(22)15-27-19;1-6-28(7-2)13-12-26-18-9-10-19-22-21(18)23(30)17-14-16(32-24(31)25(3,4)5)8-11-20(17)29(22)15-27-19;1-3-26(4-2)8-7-23-15-5-6-16-21-20(15)22(29)14-11-17-13(10-19(28)25-17)9-18(14)27(21)12-24-16;1-3-26(4-2)10-9-24-16-5-6-17-21-20(16)22(28)15-12-18-14(7-8-23-18)11-19(15)27(21)13-25-17/h5-11,14-16,32H,3-4,12-13H2,1-2H3,(H,34,38);8-11,14-15,27H,6-7,12-13,16H2,1-5H3;8-11,14-15,26H,6-7,12-13H2,1-5H3;8-11,14-15,26H,6-7,12-13H2,1-5H3;5-6,9,11-12,23H,3-4,7-8,10H2,1-2H3,(H,25,28);5-8,11-13,23-24H,3-4,9-10H2,1-2H3
InChIKeyYXEWHRNNZQTVJD-UHFFFAOYSA-N
XLogP24.59
TPSA469.19 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds43
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002634.11
LogP ≤ 524.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one with MolForge

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Related Compounds

N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
CID 158246335
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;3-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
CID 160995799
tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-(pyridine-2-carbonylamino)benzimidazol-1-yl]propanoate;bis(tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-(quinoline-3-carbonylamino)benzimidazol-1-yl]propanoate);tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[[2-(trifluoromethoxy)benzoyl]amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[[3-(trifluoromethoxy)benzoyl]amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzimidazol-1-yl]propanoate;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-3-(trifluoromethoxy)benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 161584818
[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] dihydrogen phosphate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] morpholine-4-carboxylate;5-[[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxy]-3-methyl-5-oxopentanoic acid;bis(1-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-[3-(trifluoromethyl)phenyl]urea)
CID 162022908
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 162193573
8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;12,24-dimethyl-5,18,20-trioxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2(10),3,8,14(22),15,17(21)-hexaene;ethyl 9-ethyl-2-methyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate;methane;5-methoxy-2,3-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indole;6-methoxy-3-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one;4-methyl-2-(2-methylphenyl)-6-piperazin-1-ylpyrimidine;N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide;2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
CID 162214082
CID 157175921
CID 157175921
10-[2-(Diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 158002817
CID 159374296
CID 159374296
Tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;5-[[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxy]-3-methyl-5-oxopentanoic acid;methane
CID 160025580
2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide
CID 160402855

Frequently Asked Questions

What is the IUPAC name of tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one?
The IUPAC name of tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one (CID 162040380) is tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one.
What is the SMILES notation for tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one?
The canonical SMILES for tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one is CCN(CC)CCNc1ccc2ncn3c4cc5c(cc4c(=O)c1c23)NC(=O)C5.CCN(CC)CCNc1ccc2ncn3c4cc5cc[nH]c5cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(NC(=O)c5cccc(C(F)(F)F)c5)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)C(C)(C)C)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OC(=O)OC(C)(C)C)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2ncn3c4ccc(OCOC(=O)C(C)(C)C)cc4c(=O)c1c23.
What is the InChIKey of tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one?
The InChIKey is YXEWHRNNZQTVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O2.C26H32N4O4.C25H30N4O4.C25H30N4O3.C22H23N5O2.C22H23N5O/c1-3-35(4-2)13-12-32-21-9-10-22-25-24(21)26(37)20-15-19(8-11-23(20)36(25)16-33-22)34-27(38)17-6-5-7-18(14-17)28(29,30)31;1-6-29(7-2)13-12-27-19-9-10-20-23-22(19)24(31)18-14-17(8-11-21(18)30(23)15-28-20)33-16-34-25(32)26(3,4)5;1-6-28(7-2)13-12-26-18-9-10-19-22-21(18)23(30)17-14-16(32-24(31)33-25(3,4)5)8-11-20(17)29(22)15-27-19;1-6-28(7-2)13-12-26-18-9-10-19-22-21(18)23(30)17-14-16(32-24(31)25(3,4)5)8-11-20(17)29(22)15-27-19;1-3-26(4-2)8-7-23-15-5-6-16-21-20(15)22(29)14-11-17-13(10-19(28)25-17)9-18(14)27(21)12-24-16;1-3-26(4-2)10-9-24-16-5-6-17-21-20(16)22(28)15-12-18-14(7-8-23-18)11-19(15)27(21)13-25-17/h5-11,14-16,32H,3-4,12-13H2,1-2H3,(H,34,38);8-11,14-15,27H,6-7,12-13,16H2,1-5H3;8-11,14-15,26H,6-7,12-13H2,1-5H3;8-11,14-15,26H,6-7,12-13H2,1-5H3;5-6,9,11-12,23H,3-4,7-8,10H2,1-2H3,(H,25,28);5-8,11-13,23-24H,3-4,9-10H2,1-2H3.
What are the key properties of tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one?
tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one has a molecular weight of 2634.11 g/mol, XLogP of 24.59, 43 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] carbonate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 2,2-dimethylpropanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]oxymethyl 2,2-dimethylpropanoate;N-[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl]-3-(trifluoromethyl)benzamide;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,8,12,14,16(19),17-heptaene-6,11-dione;13-[2-(diethylamino)ethylamino]-1,7,17-triazapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2(10),3,5,8,12,14,16(19),17-octaen-11-one is sourced from PubChem (CID 162040380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).