11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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

C103H133F9N26O6 — CID 159931034

About 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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

11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 159931034) has the molecular formula C103H133F9N26O6 and a molecular weight of 2002.35 g/mol. Its IUPAC name is 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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: 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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: 159931034
• Molecular Formula: C103H133F9N26O6
• Molecular Weight: 2002.35 g/mol
• Exact Mass: 2001.08
• IUPAC Name: 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNC3(C#N)CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.COCN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1c2cnc3[nH]ccc3c2N(C2CCC(CNCC(F)F)CC2)CN1C1CC1
• InChI: InChI=1S/C21H26F3N5O.C21H27F2N5O.C21H26N6O.C20H27F2N5O2.C20H27F2N5O/c1-28-12-29(17-15-6-9-25-18(15)26-11-16(17)19(28)30)14-4-2-13(3-5-14)10-27-20(7-8-20)21(22,23)24;22-18(23)11-24-9-13-1-3-14(4-2-13)27-12-28(15-5-6-15)21(29)17-10-26-20-16(19(17)27)7-8-25-20;1-26-13-27(18-16-6-9-23-19(16)24-11-17(18)20(26)28)15-4-2-14(3-5-15)10-25-21(12-22)7-8-21;1-29-12-26-11-27(14-4-2-13(3-5-14)8-23-10-17(21)22)18-15-6-7-24-19(15)25-9-16(18)20(26)28;1-2-26-12-27(14-5-3-13(4-6-14)9-23-11-17(21)22)18-15-7-8-24-19(15)25-10-16(18)20(26)28/h6,9,11,13-14,27H,2-5,7-8,10,12H2,1H3,(H,25,26);7-8,10,13-15,18,24H,1-6,9,11-12H2,(H,25,26);6,9,11,14-15,25H,2-5,7-8,10,13H2,1H3,(H,23,24);6-7,9,13-14,17,23H,2-5,8,10-12H2,1H3,(H,24,25);7-8,10,13-14,17,23H,2-6,9,11-12H2,1H3,(H,24,25)
• InChIKey: NZQGVUHXYYKGQY-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 354.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.35
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 159931034) is 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNC3(C#N)CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c(cnc3[nH]ccc23)C1=O.COCN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1c2cnc3[nH]ccc3c2N(C2CCC(CNCC(F)F)CC2)CN1C1CC1.

What is the InChIKey of 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 NZQGVUHXYYKGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O.C21H27F2N5O.C21H26N6O.C20H27F2N5O2.C20H27F2N5O/c1-28-12-29(17-15-6-9-25-18(15)26-11-16(17)19(28)30)14-4-2-13(3-5-14)10-27-20(7-8-20)21(22,23)24;22-18(23)11-24-9-13-1-3-14(4-2-13)27-12-28(15-5-6-15)21(29)17-10-26-20-16(19(17)27)7-8-25-20;1-26-13-27(18-16-6-9-23-19(16)24-11-17(18)20(26)28)15-4-2-14(3-5-15)10-25-21(12-22)7-8-21;1-29-12-26-11-27(14-4-2-13(3-5-14)8-23-10-17(21)22)18-15-6-7-24-19(15)25-9-16(18)20(26)28;1-2-26-12-27(14-5-3-13(4-6-14)9-23-11-17(21)22)18-15-7-8-24-19(15)25-10-16(18)20(26)28/h6,9,11,13-14,27H,2-5,7-8,10,12H2,1H3,(H,25,26);7-8,10,13-15,18,24H,1-6,9,11-12H2,(H,25,26);6,9,11,14-15,25H,2-5,7-8,10,13H2,1H3,(H,23,24);6-7,9,13-14,17,23H,2-5,8,10-12H2,1H3,(H,24,25);7-8,10,13-14,17,23H,2-6,9,11-12H2,1H3,(H,24,25).

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

11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 2002.35 g/mol, XLogP of 15.65, 27 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 11-cyclopropyl-13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-ethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-(methoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;1-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methylamino]cyclopropane-1-carbonitrile;11-methyl-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 159931034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).