N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile

C119H151F5N32O9S — CID 159692944

About N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile

N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile (PubChem CID 159692944) has the molecular formula C119H151F5N32O9S and a molecular weight of 2300.79 g/mol. Its IUPAC name is N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile.

Molecular Properties

• Compound Name: N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile
• PubChem CID: 159692944
• Molecular Formula: C119H151F5N32O9S
• Molecular Weight: 2300.79 g/mol
• Exact Mass: 2299.20
• IUPAC Name: N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile
• SMILES: CCN1CN(C2CCC(CN(C)CC#N)CC2)c2c(cnc3[nH]ccc23)C1=O.CCN1CN(C2CCC(CNS(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1NCN(C2CCC(CN3CC[C@H](F)C3)CC2)c2c1cnc1[nH]ccc21.[C-]#[N+]CN1CN(C2CCC(CF)CC2)c2c(cnc3[nH]ccc23)C1=O.[C-]#[N+]CN1CN(C2CCC(CN(C)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
• InChI: InChI=1S/C21H25F3N6O.C21H28N6O.C20H26FN5O.C20H25N5O2.C19H27N5O3S.C18H20FN5O/c1-25-12-29-13-30(18-16-7-8-26-19(16)27-9-17(18)20(29)31)15-5-3-14(4-6-15)10-28(2)11-21(22,23)24;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;21-14-6-8-25(11-14)10-13-1-3-15(4-2-13)26-12-24-20(27)17-9-23-19-16(18(17)26)5-7-22-19;1-24-13-25(15-5-3-14(4-6-15)12-27-10-2-8-21)18-16-7-9-22-19(16)23-11-17(18)20(24)26;1-3-23-12-24(14-6-4-13(5-7-14)10-22-28(2,26)27)17-15-8-9-20-18(15)21-11-16(17)19(23)25;1-20-10-23-11-24(13-4-2-12(8-19)3-5-13)16-14-6-7-21-17(14)22-9-15(16)18(23)25/h7-9,14-15H,3-6,10-13H2,2H3,(H,26,27);8,10,12,15-16H,3-7,11,13-14H2,1-2H3,(H,23,24);5,7,9,13-15H,1-4,6,8,10-12H2,(H,22,23)(H,24,27);7,9,11,14-15H,2-6,10,12-13H2,1H3,(H,22,23);8-9,11,13-14,22H,3-7,10,12H2,1-2H3,(H,20,21);6-7,9,12-13H,2-5,8,10-11H2,(H,21,22)/t;;13?,14-,15?;;;/m..0.../s1
• InChIKey: MWQLPRAZDXQDPX-NHNHALAESA-N
• XLogP: 17.20
• TPSA: 443.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.79
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile?

The IUPAC name of N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile (CID 159692944) is N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile.

What is the SMILES notation for N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile?

The canonical SMILES for N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile is CCN1CN(C2CCC(CN(C)CC#N)CC2)c2c(cnc3[nH]ccc23)C1=O.CCN1CN(C2CCC(CNS(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1NCN(C2CCC(CN3CC[C@H](F)C3)CC2)c2c1cnc1[nH]ccc21.[C-]#[N+]CN1CN(C2CCC(CF)CC2)c2c(cnc3[nH]ccc23)C1=O.[C-]#[N+]CN1CN(C2CCC(CN(C)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.

What is the InChIKey of N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile?

The InChIKey is MWQLPRAZDXQDPX-NHNHALAESA-N. The full InChI is InChI=1S/C21H25F3N6O.C21H28N6O.C20H26FN5O.C20H25N5O2.C19H27N5O3S.C18H20FN5O/c1-25-12-29-13-30(18-16-7-8-26-19(16)27-9-17(18)20(29)31)15-5-3-14(4-6-15)10-28(2)11-21(22,23)24;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;21-14-6-8-25(11-14)10-13-1-3-15(4-2-13)26-12-24-20(27)17-9-23-19-16(18(17)26)5-7-22-19;1-24-13-25(15-5-3-14(4-6-15)12-27-10-2-8-21)18-16-7-9-22-19(16)23-11-17(18)20(24)26;1-3-23-12-24(14-6-4-13(5-7-14)10-22-28(2,26)27)17-15-8-9-20-18(15)21-11-16(17)19(23)25;1-20-10-23-11-24(13-4-2-12(8-19)3-5-13)16-14-6-7-21-17(14)22-9-15(16)18(23)25/h7-9,14-15H,3-6,10-13H2,2H3,(H,26,27);8,10,12,15-16H,3-7,11,13-14H2,1-2H3,(H,23,24);5,7,9,13-15H,1-4,6,8,10-12H2,(H,22,23)(H,24,27);7,9,11,14-15H,2-6,10,12-13H2,1H3,(H,22,23);8-9,11,13-14,22H,3-7,10,12H2,1-2H3,(H,20,21);6-7,9,12-13H,2-5,8,10-11H2,(H,21,22)/t;;13?,14-,15?;;;/m..0.../s1.

What are the key properties of N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile?

N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile has a molecular weight of 2300.79 g/mol, XLogP of 17.20, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[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]methanesulfonamide;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;13-[4-(fluoromethyl)cyclohexyl]-11-(isocyanomethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;11-(isocyanomethyl)-13-[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;3-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile is sourced from PubChem (CID 159692944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).