13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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

C112H140F11N29O6 — CID 158338978

IUPAC13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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
SMILESCN(CC#N)CC1CCC(N2CN(C)C(=O)c3cnc4[nH]ccc4c32)CC1.CN1CN(C2CCC(C(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CF)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1NCN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c1cnc1[nH]ccc21
InChIInChI=1S/C20H24F3N5O.C20H26N6O.C19H24F3N5O.C19H25F2N5O.C17H20F2N4O.C17H21FN4O/c21-20(22,23)19(6-7-19)27-9-12-1-3-13(4-2-12)28-11-26-18(29)15-10-25-17-14(16(15)28)5-8-24-17;1-24(10-8-21)12-14-3-5-15(6-4-14)26-13-25(2)20(27)17-11-23-19-16(18(17)26)7-9-22-19;1-26-11-27(13-4-2-12(3-5-13)8-23-10-19(20,21)22)16-14-6-7-24-17(14)25-9-15(16)18(26)28;1-25-11-26(13-4-2-12(3-5-13)8-22-10-16(20)21)17-14-6-7-23-18(14)24-9-15(17)19(25)27;1-22-9-23(11-4-2-10(3-5-11)15(18)19)14-12-6-7-20-16(12)21-8-13(14)17(22)24;1-21-10-22(12-4-2-11(8-18)3-5-12)15-13-6-7-19-16(13)20-9-14(15)17(21)23/h5,8,10,12-13,27H,1-4,6-7,9,11H2,(H,24,25)(H,26,29);7,9,11,14-15H,3-6,10,12-13H2,1-2H3,(H,22,23);6-7,9,12-13,23H,2-5,8,10-11H2,1H3,(H,24,25);6-7,9,12-13,16,22H,2-5,8,10-11H2,1H3,(H,23,24);6-8,10-11,15H,2-5,9H2,1H3,(H,20,21);6-7,9,11-12H,2-5,8,10H2,1H3,(H,19,20)
InChIKeyGQXVTYFZRIDRKP-UHFFFAOYSA-N
MW2197.53 g/mol
LogP17.87
Rot. Bonds21

About 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 158338978) has the molecular formula C112H140F11N29O6 and a molecular weight of 2197.53 g/mol. Its IUPAC name is 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 Name13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 CID158338978
Molecular FormulaC112H140F11N29O6
Molecular Weight2197.53 g/mol
Exact Mass2196.14
IUPAC Name13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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
SMILESCN(CC#N)CC1CCC(N2CN(C)C(=O)c3cnc4[nH]ccc4c32)CC1.CN1CN(C2CCC(C(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CF)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1NCN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c1cnc1[nH]ccc21
InChIInChI=1S/C20H24F3N5O.C20H26N6O.C19H24F3N5O.C19H25F2N5O.C17H20F2N4O.C17H21FN4O/c21-20(22,23)19(6-7-19)27-9-12-1-3-13(4-2-12)28-11-26-18(29)15-10-25-17-14(16(15)28)5-8-24-17;1-24(10-8-21)12-14-3-5-15(6-4-14)26-13-25(2)20(27)17-11-23-19-16(18(17)26)7-9-22-19;1-26-11-27(13-4-2-12(3-5-13)8-23-10-19(20,21)22)16-14-6-7-24-17(14)25-9-15(16)18(26)28;1-25-11-26(13-4-2-12(3-5-13)8-22-10-16(20)21)17-14-6-7-23-18(14)24-9-15(17)19(25)27;1-22-9-23(11-4-2-10(3-5-11)15(18)19)14-12-6-7-20-16(12)21-8-13(14)17(22)24;1-21-10-22(12-4-2-11(8-18)3-5-12)15-13-6-7-19-16(13)20-9-14(15)17(21)23/h5,8,10,12-13,27H,1-4,6-7,9,11H2,(H,24,25)(H,26,29);7,9,11,14-15H,3-6,10,12-13H2,1-2H3,(H,22,23);6-7,9,12-13,23H,2-5,8,10-11H2,1H3,(H,24,25);6-7,9,12-13,16,22H,2-5,8,10-11H2,1H3,(H,23,24);6-8,10-11,15H,2-5,9H2,1H3,(H,20,21);6-7,9,11-12H,2-5,8,10H2,1H3,(H,19,20)
InChIKeyGQXVTYFZRIDRKP-UHFFFAOYSA-N
XLogP17.87
TPSA385.29 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002197.53
LogP ≤ 517.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 158338978) is 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 CN(CC#N)CC1CCC(N2CN(C)C(=O)c3cnc4[nH]ccc4c32)CC1.CN1CN(C2CCC(C(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CF)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.CN1CN(C2CCC(CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O.O=C1NCN(C2CCC(CNC3(C(F)(F)F)CC3)CC2)c2c1cnc1[nH]ccc21.
What is the InChIKey of 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 GQXVTYFZRIDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O.C20H26N6O.C19H24F3N5O.C19H25F2N5O.C17H20F2N4O.C17H21FN4O/c21-20(22,23)19(6-7-19)27-9-12-1-3-13(4-2-12)28-11-26-18(29)15-10-25-17-14(16(15)28)5-8-24-17;1-24(10-8-21)12-14-3-5-15(6-4-14)26-13-25(2)20(27)17-11-23-19-16(18(17)26)7-9-22-19;1-26-11-27(13-4-2-12(3-5-13)8-23-10-19(20,21)22)16-14-6-7-24-17(14)25-9-15(16)18(26)28;1-25-11-26(13-4-2-12(3-5-13)8-22-10-16(20)21)17-14-6-7-23-18(14)24-9-15(17)19(25)27;1-22-9-23(11-4-2-10(3-5-11)15(18)19)14-12-6-7-20-16(12)21-8-13(14)17(22)24;1-21-10-22(12-4-2-11(8-18)3-5-12)15-13-6-7-19-16(13)20-9-14(15)17(21)23/h5,8,10,12-13,27H,1-4,6-7,9,11H2,(H,24,25)(H,26,29);7,9,11,14-15H,3-6,10,12-13H2,1-2H3,(H,22,23);6-7,9,12-13,23H,2-5,8,10-11H2,1H3,(H,24,25);6-7,9,12-13,16,22H,2-5,8,10-11H2,1H3,(H,23,24);6-8,10-11,15H,2-5,9H2,1H3,(H,20,21);6-7,9,11-12H,2-5,8,10H2,1H3,(H,19,20).
What are the key properties of 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 2197.53 g/mol, XLogP of 17.87, 21 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-[(2,2-difluoroethylamino)methyl]cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(difluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;13-[4-(fluoromethyl)cyclohexyl]-11-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;2-[methyl-[[4-(11-methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]amino]acetonitrile;11-methyl-13-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one;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 158338978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).