13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one

C125H154F6N34O6 — CID 160772530

About 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one

13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one (PubChem CID 160772530) has the molecular formula C125H154F6N34O6 and a molecular weight of 2342.83 g/mol. Its IUPAC name is 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one.

Molecular Properties

• Compound Name: 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
• PubChem CID: 160772530
• Molecular Formula: C125H154F6N34O6
• Molecular Weight: 2342.83 g/mol
• Exact Mass: 2341.27
• IUPAC Name: 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
• SMILES: CCN1CN(C2CCC(CN(C)CC#N)CC2)c2c(cnc3[nH]ccc23)C1=O.CN(CC#N)CC1CCC(N2CN(C3CC3)C(=O)c3cnc4[nH]ccc4c32)CC1.O=C1c2cnc3[nH]ccc3c2N(C2CCC(CF)CC2)CN1C1CC1.[C-]#[N+]CN1CN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.[C-]#[N+]CN1CN(C2CCC(CNC3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.[C-]#[N+]CN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
• InChI: InChI=1S/C22H25F3N6O.C22H28N6O.C21H26N6O.C21H28N6O.C20H24F2N6O.C19H23FN4O/c1-26-12-30-13-31(18-16-6-9-27-19(16)28-11-17(18)20(30)32)15-4-2-14(3-5-15)10-29-21(7-8-21)22(23,24)25;1-26(11-9-23)13-15-2-4-16(5-3-15)27-14-28(17-6-7-17)22(29)19-12-25-21-18(20(19)27)8-10-24-21;1-22-12-26-13-27(16-6-2-14(3-7-16)10-24-15-4-5-15)19-17-8-9-23-20(17)25-11-18(19)21(26)28;1-3-26-14-27(16-6-4-15(5-7-16)13-25(2)11-9-22)19-17-8-10-23-20(17)24-12-18(19)21(26)28;1-23-11-27-12-28(14-4-2-13(3-5-14)8-24-10-17(21)22)18-15-6-7-25-19(15)26-9-16(18)20(27)29;20-9-12-1-3-13(4-2-12)23-11-24(14-5-6-14)19(25)16-10-22-18-15(17(16)23)7-8-21-18/h6,9,11,14-15,29H,2-5,7-8,10,12-13H2,(H,27,28);8,10,12,15-17H,2-7,11,13-14H2,1H3,(H,24,25);8-9,11,14-16,24H,2-7,10,12-13H2,(H,23,25);8,10,12,15-16H,3-7,11,13-14H2,1-2H3,(H,23,24);6-7,9,13-14,17,24H,2-5,8,10-12H2,(H,25,26);7-8,10,12-14H,1-6,9,11H2,(H,21,22)
• InChIKey: RZMVFZGFEMYYLO-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 416.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2342.83
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one?

The IUPAC name of 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one (CID 160772530) is 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one.

What is the SMILES notation for 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one?

The canonical SMILES for 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one is CCN1CN(C2CCC(CN(C)CC#N)CC2)c2c(cnc3[nH]ccc23)C1=O.CN(CC#N)CC1CCC(N2CN(C3CC3)C(=O)c3cnc4[nH]ccc4c32)CC1.O=C1c2cnc3[nH]ccc3c2N(C2CCC(CF)CC2)CN1C1CC1.[C-]#[N+]CN1CN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.[C-]#[N+]CN1CN(C2CCC(CNC3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.[C-]#[N+]CN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.

What is the InChIKey of 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one?

The InChIKey is RZMVFZGFEMYYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O.C22H28N6O.C21H26N6O.C21H28N6O.C20H24F2N6O.C19H23FN4O/c1-26-12-30-13-31(18-16-6-9-27-19(16)28-11-17(18)20(30)32)15-4-2-14(3-5-15)10-29-21(7-8-21)22(23,24)25;1-26(11-9-23)13-15-2-4-16(5-3-15)27-14-28(17-6-7-17)22(29)19-12-25-21-18(20(19)27)8-10-24-21;1-22-12-26-13-27(16-6-2-14(3-7-16)10-24-15-4-5-15)19-17-8-9-23-20(17)25-11-18(19)21(26)28;1-3-26-14-27(16-6-4-15(5-7-16)13-25(2)11-9-22)19-17-8-10-23-20(17)24-12-18(19)21(26)28;1-23-11-27-12-28(14-4-2-13(3-5-14)8-24-10-17(21)22)18-15-6-7-25-19(15)26-9-16(18)20(27)29;20-9-12-1-3-13(4-2-12)23-11-24(14-5-6-14)19(25)16-10-22-18-15(17(16)23)7-8-21-18/h6,9,11,14-15,29H,2-5,7-8,10,12-13H2,(H,27,28);8,10,12,15-17H,2-7,11,13-14H2,1H3,(H,24,25);8-9,11,14-16,24H,2-7,10,12-13H2,(H,23,25);8,10,12,15-16H,3-7,11,13-14H2,1-2H3,(H,23,24);6-7,9,13-14,17,24H,2-5,8,10-12H2,(H,25,26);7-8,10,12-14H,1-6,9,11H2,(H,21,22).

What are the key properties of 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one?

13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one has a molecular weight of 2342.83 g/mol, XLogP of 19.19, 29 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[4-[(cyclopropylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-cyclopropyl-13-[4-(fluoromethyl)cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl-methylamino]acetonitrile;11-(isocyanomethyl)-13-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one is sourced from PubChem (CID 160772530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).