19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride

C130H169Br2ClF5N25O29 — CID 159429944

IUPAC19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride
SMILESC.CCC(Oc1cc(-c2c(OC)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N)c1ccc(F)cc1C(=O)O.CCC(Oc1cc(-c2c(OC)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N)c1ccc(F)cc1C(=O)OC.CCC(Oc1cc(-c2c(OC)nn(C)c2CNC)cnc1N)c1ccc(F)cc1C(=O)O.CCC(Oc1cc(Br)cnc1N)c1cc(F)ccc1C(=O)OC.CCC1Oc2cc(cnc2N)-c2c(OC)nn(C)c2CN(C)C(=O)c2ccc(F)cc21.COc1nn(C)c(CN(C)C(=O)OC(C)(C)C)c1Br.Cl.OCO.OCO
InChIInChI=1S/C28H36FN5O6.C27H34FN5O6.C22H26FN5O4.C22H24FN5O3.C16H16BrFN2O3.C12H20BrN3O3.2CH4O2.CH4.ClH/c1-9-21(18-11-10-17(29)13-19(18)26(35)38-8)39-22-12-16(14-31-24(22)30)23-20(34(6)32-25(23)37-7)15-33(5)27(36)40-28(2,3)4;1-8-20(17-10-9-16(28)12-18(17)25(34)35)38-21-11-15(13-30-23(21)29)22-19(33(6)31-24(22)37-7)14-32(5)26(36)39-27(2,3)4;1-5-17(14-7-6-13(23)9-15(14)22(29)30)32-18-8-12(10-26-20(18)24)19-16(11-25-2)28(3)27-21(19)31-4;1-5-17-15-9-13(23)6-7-14(15)22(29)27(2)11-16-19(21(30-4)26-28(16)3)12-8-18(31-17)20(24)25-10-12;1-3-13(23-14-6-9(17)8-20-15(14)19)12-7-10(18)4-5-11(12)16(21)22-2;1-12(2,3)19-11(17)15(4)7-8-9(13)10(18-6)14-16(8)5;2*2-1-3;;/h10-14,21H,9,15H2,1-8H3,(H2,30,31);9-13,20H,8,14H2,1-7H3,(H2,29,30)(H,34,35);6-10,17,25H,5,11H2,1-4H3,(H2,24,26)(H,29,30);6-10,17H,5,11H2,1-4H3,(H2,24,25);4-8,13H,3H2,1-2H3,(H2,19,20);7H2,1-6H3;2*2-3H,1H2;1H4;1H
InChIKeyVUBJHMALRCRODJ-UHFFFAOYSA-N
MW2836.18 g/mol
LogP21.55
Rot. Bonds37

About 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride

19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride (PubChem CID 159429944) has the molecular formula C130H169Br2ClF5N25O29 and a molecular weight of 2836.18 g/mol. Its IUPAC name is 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Name19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride
PubChem CID159429944
Molecular FormulaC130H169Br2ClF5N25O29
Molecular Weight2836.18 g/mol
Exact Mass2832.05
IUPAC Name19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride
SMILESC.CCC(Oc1cc(-c2c(OC)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N)c1ccc(F)cc1C(=O)O.CCC(Oc1cc(-c2c(OC)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N)c1ccc(F)cc1C(=O)OC.CCC(Oc1cc(-c2c(OC)nn(C)c2CNC)cnc1N)c1ccc(F)cc1C(=O)O.CCC(Oc1cc(Br)cnc1N)c1cc(F)ccc1C(=O)OC.CCC1Oc2cc(cnc2N)-c2c(OC)nn(C)c2CN(C)C(=O)c2ccc(F)cc21.COc1nn(C)c(CN(C)C(=O)OC(C)(C)C)c1Br.Cl.OCO.OCO
InChIInChI=1S/C28H36FN5O6.C27H34FN5O6.C22H26FN5O4.C22H24FN5O3.C16H16BrFN2O3.C12H20BrN3O3.2CH4O2.CH4.ClH/c1-9-21(18-11-10-17(29)13-19(18)26(35)38-8)39-22-12-16(14-31-24(22)30)23-20(34(6)32-25(23)37-7)15-33(5)27(36)40-28(2,3)4;1-8-20(17-10-9-16(28)12-18(17)25(34)35)38-21-11-15(13-30-23(21)29)22-19(33(6)31-24(22)37-7)14-32(5)26(36)39-27(2,3)4;1-5-17(14-7-6-13(23)9-15(14)22(29)30)32-18-8-12(10-26-20(18)24)19-16(11-25-2)28(3)27-21(19)31-4;1-5-17-15-9-13(23)6-7-14(15)22(29)27(2)11-16-19(21(30-4)26-28(16)3)12-8-18(31-17)20(24)25-10-12;1-3-13(23-14-6-9(17)8-20-15(14)19)12-7-10(18)4-5-11(12)16(21)22-2;1-12(2,3)19-11(17)15(4)7-8-9(13)10(18-6)14-16(8)5;2*2-1-3;;/h10-14,21H,9,15H2,1-8H3,(H2,30,31);9-13,20H,8,14H2,1-7H3,(H2,29,30)(H,34,35);6-10,17,25H,5,11H2,1-4H3,(H2,24,26)(H,29,30);6-10,17H,5,11H2,1-4H3,(H2,24,25);4-8,13H,3H2,1-2H3,(H2,19,20);7H2,1-6H3;2*2-3H,1H2;1H4;1H
InChIKeyVUBJHMALRCRODJ-UHFFFAOYSA-N
XLogP21.55
TPSA705.03 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002836.18
LogP ≤ 521.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride?
The IUPAC name of 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride (CID 159429944) is 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride.
What is the SMILES notation for 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride?
The canonical SMILES for 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride is C.CCC(Oc1cc(-c2c(OC)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N)c1ccc(F)cc1C(=O)O.CCC(Oc1cc(-c2c(OC)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N)c1ccc(F)cc1C(=O)OC.CCC(Oc1cc(-c2c(OC)nn(C)c2CNC)cnc1N)c1ccc(F)cc1C(=O)O.CCC(Oc1cc(Br)cnc1N)c1cc(F)ccc1C(=O)OC.CCC1Oc2cc(cnc2N)-c2c(OC)nn(C)c2CN(C)C(=O)c2ccc(F)cc21.COc1nn(C)c(CN(C)C(=O)OC(C)(C)C)c1Br.Cl.OCO.OCO.
What is the InChIKey of 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride?
The InChIKey is VUBJHMALRCRODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O6.C27H34FN5O6.C22H26FN5O4.C22H24FN5O3.C16H16BrFN2O3.C12H20BrN3O3.2CH4O2.CH4.ClH/c1-9-21(18-11-10-17(29)13-19(18)26(35)38-8)39-22-12-16(14-31-24(22)30)23-20(34(6)32-25(23)37-7)15-33(5)27(36)40-28(2,3)4;1-8-20(17-10-9-16(28)12-18(17)25(34)35)38-21-11-15(13-30-23(21)29)22-19(33(6)31-24(22)37-7)14-32(5)26(36)39-27(2,3)4;1-5-17(14-7-6-13(23)9-15(14)22(29)30)32-18-8-12(10-26-20(18)24)19-16(11-25-2)28(3)27-21(19)31-4;1-5-17-15-9-13(23)6-7-14(15)22(29)27(2)11-16-19(21(30-4)26-28(16)3)12-8-18(31-17)20(24)25-10-12;1-3-13(23-14-6-9(17)8-20-15(14)19)12-7-10(18)4-5-11(12)16(21)22-2;1-12(2,3)19-11(17)15(4)7-8-9(13)10(18-6)14-16(8)5;2*2-1-3;;/h10-14,21H,9,15H2,1-8H3,(H2,30,31);9-13,20H,8,14H2,1-7H3,(H2,29,30)(H,34,35);6-10,17,25H,5,11H2,1-4H3,(H2,24,26)(H,29,30);6-10,17H,5,11H2,1-4H3,(H2,24,25);4-8,13H,3H2,1-2H3,(H2,19,20);7H2,1-6H3;2*2-3H,1H2;1H4;1H.
What are the key properties of 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride?
19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride has a molecular weight of 2836.18 g/mol, XLogP of 21.55, 37 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 19-amino-16-ethyl-13-fluoro-3-methoxy-5,8-dimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoic acid;tert-butyl N-[(4-bromo-5-methoxy-2-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methane;bis(methanediol);methyl 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]propyl]-4-fluorobenzoate;methyl 2-[1-[[2-amino-5-[3-methoxy-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]propyl]-5-fluorobenzoate;hydrochloride is sourced from PubChem (CID 159429944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).