(2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide

C112H112BrF7N26O5 — CID 159058414

IUPAC(2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide
SMILESCN1C(=O)C(/C(N)=N/c2ccccc2)=C(NCCc2ccc(C(F)(F)F)cc2)N2C1=N[C@@H]1CCC[C@@H]12.[H]/N=c1/c(=C(/Nc2ccccc2)NC(Br)c2ccc(-c3ccc(C)cn3)cc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.[H]/N=c1/c(=C(\NCc2ccc(-c3cccc(F)n3)cc2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.[H]/N=c1/c(=C(\NCc2ccc(C(=O)C(C)(F)F)c(F)c2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2
InChIInChI=1S/C30H30BrN7O.C29H28FN7O.C27H27F3N6O2.C26H27F3N6O/c1-18-11-16-22(33-17-18)19-12-14-20(15-13-19)26(31)36-28(34-21-7-4-3-5-8-21)25-27(32)38-24-10-6-9-23(24)35-30(38)37(2)29(25)39;1-36-28(38)25(26(31)37-23-11-5-10-22(23)35-29(36)37)27(33-20-7-3-2-4-8-20)32-17-18-13-15-19(16-14-18)21-9-6-12-24(30)34-21;1-27(29,30)22(37)17-12-11-15(13-18(17)28)14-32-24(33-16-7-4-3-5-8-16)21-23(31)36-20-10-6-9-19(20)34-26(36)35(2)25(21)38;1-34-24(36)21(22(30)32-18-6-3-2-4-7-18)23(35-20-9-5-8-19(20)33-25(34)35)31-15-14-16-10-12-17(13-11-16)26(27,28)29/h3-5,7-8,11-17,23-24,26,32,34,36H,6,9-10H2,1-2H3;2-4,6-9,12-16,22-23,31-33H,5,10-11,17H2,1H3;3-5,7-8,11-13,19-20,31-33H,6,9-10,14H2,1-2H3;2-4,6-7,10-13,19-20,31H,5,8-9,14-15H2,1H3,(H2,30,32)/b28-25+,32-27-;27-25-,31-26-;24-21-,31-23-;/t23-,24+,26?;22-,23+;2*19-,20+/m1111/s1
InChIKeyJYDQHRYMFMOHSL-XLHOHCBASA-N
MW2115.19 g/mol
LogP12.33
Rot. Bonds25

About (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide

(2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide (PubChem CID 159058414) has the molecular formula C112H112BrF7N26O5 and a molecular weight of 2115.19 g/mol. Its IUPAC name is (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide.

Molecular Properties

Compound Name(2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide
PubChem CID159058414
Molecular FormulaC112H112BrF7N26O5
Molecular Weight2115.19 g/mol
Exact Mass2112.84
IUPAC Name(2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide
SMILESCN1C(=O)C(/C(N)=N/c2ccccc2)=C(NCCc2ccc(C(F)(F)F)cc2)N2C1=N[C@@H]1CCC[C@@H]12.[H]/N=c1/c(=C(/Nc2ccccc2)NC(Br)c2ccc(-c3ccc(C)cn3)cc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.[H]/N=c1/c(=C(\NCc2ccc(-c3cccc(F)n3)cc2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.[H]/N=c1/c(=C(\NCc2ccc(C(=O)C(C)(F)F)c(F)c2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2
InChIInChI=1S/C30H30BrN7O.C29H28FN7O.C27H27F3N6O2.C26H27F3N6O/c1-18-11-16-22(33-17-18)19-12-14-20(15-13-19)26(31)36-28(34-21-7-4-3-5-8-21)25-27(32)38-24-10-6-9-23(24)35-30(38)37(2)29(25)39;1-36-28(38)25(26(31)37-23-11-5-10-22(23)35-29(36)37)27(33-20-7-3-2-4-8-20)32-17-18-13-15-19(16-14-18)21-9-6-12-24(30)34-21;1-27(29,30)22(37)17-12-11-15(13-18(17)28)14-32-24(33-16-7-4-3-5-8-16)21-23(31)36-20-10-6-9-19(20)34-26(36)35(2)25(21)38;1-34-24(36)21(22(30)32-18-6-3-2-4-7-18)23(35-20-9-5-8-19(20)33-25(34)35)31-15-14-16-10-12-17(13-11-16)26(27,28)29/h3-5,7-8,11-17,23-24,26,32,34,36H,6,9-10H2,1-2H3;2-4,6-9,12-16,22-23,31-33H,5,10-11,17H2,1H3;3-5,7-8,11-13,19-20,31-33H,6,9-10,14H2,1-2H3;2-4,6-7,10-13,19-20,31H,5,8-9,14-15H2,1H3,(H2,30,32)/b28-25+,32-27-;27-25-,31-26-;24-21-,31-23-;/t23-,24+,26?;22-,23+;2*19-,20+/m1111/s1
InChIKeyJYDQHRYMFMOHSL-XLHOHCBASA-N
XLogP12.33
TPSA390.77 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.19
LogP ≤ 512.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?
The IUPAC name of (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide (CID 159058414) is (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide.
What is the SMILES notation for (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?
The canonical SMILES for (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide is CN1C(=O)C(/C(N)=N/c2ccccc2)=C(NCCc2ccc(C(F)(F)F)cc2)N2C1=N[C@@H]1CCC[C@@H]12.[H]/N=c1/c(=C(/Nc2ccccc2)NC(Br)c2ccc(-c3ccc(C)cn3)cc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.[H]/N=c1/c(=C(\NCc2ccc(-c3cccc(F)n3)cc2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.[H]/N=c1/c(=C(\NCc2ccc(C(=O)C(C)(F)F)c(F)c2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.
What is the InChIKey of (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?
The InChIKey is JYDQHRYMFMOHSL-XLHOHCBASA-N. The full InChI is InChI=1S/C30H30BrN7O.C29H28FN7O.C27H27F3N6O2.C26H27F3N6O/c1-18-11-16-22(33-17-18)19-12-14-20(15-13-19)26(31)36-28(34-21-7-4-3-5-8-21)25-27(32)38-24-10-6-9-23(24)35-30(38)37(2)29(25)39;1-36-28(38)25(26(31)37-23-11-5-10-22(23)35-29(36)37)27(33-20-7-3-2-4-8-20)32-17-18-13-15-19(16-14-18)21-9-6-12-24(30)34-21;1-27(29,30)22(37)17-12-11-15(13-18(17)28)14-32-24(33-16-7-4-3-5-8-16)21-23(31)36-20-10-6-9-19(20)34-26(36)35(2)25(21)38;1-34-24(36)21(22(30)32-18-6-3-2-4-7-18)23(35-20-9-5-8-19(20)33-25(34)35)31-15-14-16-10-12-17(13-11-16)26(27,28)29/h3-5,7-8,11-17,23-24,26,32,34,36H,6,9-10H2,1-2H3;2-4,6-9,12-16,22-23,31-33H,5,10-11,17H2,1H3;3-5,7-8,11-13,19-20,31-33H,6,9-10,14H2,1-2H3;2-4,6-7,10-13,19-20,31H,5,8-9,14-15H2,1H3,(H2,30,32)/b28-25+,32-27-;27-25-,31-26-;24-21-,31-23-;/t23-,24+,26?;22-,23+;2*19-,20+/m1111/s1.
What are the key properties of (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?
(2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide has a molecular weight of 2115.19 g/mol, XLogP of 12.33, 25 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,11E)-11-[anilino-[[bromo-[4-(5-methyl-2-pyridinyl)phenyl]methyl]amino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R,11Z)-11-[anilino-[[4-(6-fluoro-2-pyridinyl)phenyl]methylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-[2-[4-(trifluoromethyl)phenyl]ethylamino]-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide is sourced from PubChem (CID 159058414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).