4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one

C131H138N20O6S — CID 157128512

IUPAC4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one
SMILESC=C1NN=C2C3=C1CCCC3CC(c1ccccc1)C2C1=NC(C)=CC1.C=C1NN=C2C3=C1CCCC3CC(c1ccccc1)C2c1cncn1C(C)C.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nccn2C)cc1.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nnc(C)o2)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1ccoc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1cncs1
InChIInChI=1S/C24H28N4.C23H25N3.C22H24N4O.C21H22N4O2.C21H20N2O2.C20H19N3OS/c1-15(2)28-14-25-13-21(28)23-20(17-8-5-4-6-9-17)12-18-10-7-11-19-16(3)26-27-24(23)22(18)19;1-14-11-12-20(24-14)22-19(16-7-4-3-5-8-16)13-17-9-6-10-18-15(2)25-26-23(22)21(17)18;1-13-6-8-14(9-7-13)20-19(22-23-10-11-26(22)2)21-18-15(17(27)12-24-21)4-3-5-16(18)25-20;1-11-6-8-13(9-7-11)19-18(21-25-24-12(2)27-21)20-17-14(16(26)10-22-20)4-3-5-15(17)23-19;24-17-11-22-21-18(14-9-10-25-12-14)20(13-5-2-1-3-6-13)23-16-8-4-7-15(17)19(16)21;24-15-9-22-20-17-13(15)7-4-8-14(17)23-19(12-5-2-1-3-6-12)18(20)16-10-21-11-25-16/h4-6,8-9,13-15,18,20,23,26H,3,7,10-12H2,1-2H3;3-5,7-8,11,17,19,22,25H,2,6,9-10,12-13H2,1H3;6-11,16,19-20,25H,3-5,12H2,1-2H3;6-9,15,18-19,23H,3-5,10H2,1-2H3;1-3,5-6,9-10,12,16,18,20,23H,4,7-8,11H2;1-3,5-6,10-11,14,18-19,23H,4,7-9H2
InChIKeyAITYRLMAPSDMSX-UHFFFAOYSA-N
MW2120.75 g/mol
LogP23.45
Rot. Bonds13

About 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one

4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one (PubChem CID 157128512) has the molecular formula C131H138N20O6S and a molecular weight of 2120.75 g/mol. Its IUPAC name is 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one.

Molecular Properties

Compound Name4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one
PubChem CID157128512
Molecular FormulaC131H138N20O6S
Molecular Weight2120.75 g/mol
Exact Mass2119.08
IUPAC Name4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one
SMILESC=C1NN=C2C3=C1CCCC3CC(c1ccccc1)C2C1=NC(C)=CC1.C=C1NN=C2C3=C1CCCC3CC(c1ccccc1)C2c1cncn1C(C)C.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nccn2C)cc1.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nnc(C)o2)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1ccoc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1cncs1
InChIInChI=1S/C24H28N4.C23H25N3.C22H24N4O.C21H22N4O2.C21H20N2O2.C20H19N3OS/c1-15(2)28-14-25-13-21(28)23-20(17-8-5-4-6-9-17)12-18-10-7-11-19-16(3)26-27-24(23)22(18)19;1-14-11-12-20(24-14)22-19(16-7-4-3-5-8-16)13-17-9-6-10-18-15(2)25-26-23(22)21(17)18;1-13-6-8-14(9-7-13)20-19(22-23-10-11-26(22)2)21-18-15(17(27)12-24-21)4-3-5-16(18)25-20;1-11-6-8-13(9-7-11)19-18(21-25-24-12(2)27-21)20-17-14(16(26)10-22-20)4-3-5-15(17)23-19;24-17-11-22-21-18(14-9-10-25-12-14)20(13-5-2-1-3-6-13)23-16-8-4-7-15(17)19(16)21;24-15-9-22-20-17-13(15)7-4-8-14(17)23-19(12-5-2-1-3-6-12)18(20)16-10-21-11-25-16/h4-6,8-9,13-15,18,20,23,26H,3,7,10-12H2,1-2H3;3-5,7-8,11,17,19,22,25H,2,6,9-10,12-13H2,1H3;6-11,16,19-20,25H,3-5,12H2,1-2H3;6-9,15,18-19,23H,3-5,10H2,1-2H3;1-3,5-6,9-10,12,16,18,20,23H,4,7-8,11H2;1-3,5-6,10-11,14,18-19,23H,4,7-9H2
InChIKeyAITYRLMAPSDMSX-UHFFFAOYSA-N
XLogP23.45
TPSA327.57 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002120.75
LogP ≤ 523.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one with MolForge

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Related Compounds

3-[4-[(Dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(4-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one
CID 157994890
CID 158552704
CID 158552704
CID 158557596
CID 158557596
11-[4-[(dimethylamino)methyl]phenyl]-7-fluoro-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-fluoro-3-phenyl-4-(3-propylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;12-(furan-3-yl)-4-methylidene-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene;methane;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene;5-(4-methylidene-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraen-12-yl)-1,3-thiazole;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
CID 158650773
2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
CID 158671744
3-[4-(Azetidin-1-ylmethyl)phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(4-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;methane;10-methyl-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one
CID 159027838
3-[4-[(Dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one
CID 159830387
11-[4-[(dimethylamino)methyl]phenyl]-12-(3-methylimidazol-4-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-fluoro-3-phenyl-4-(3-propylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;12-(furan-3-yl)-4-methylidene-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene;5-(4-methylidene-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraen-12-yl)-1,3-thiazole;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
CID 159848673
2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
CID 159865544
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[3,5-dimethyl-1-(2H-pyrrol-4-yl)pyrazol-4-yl]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(1-methyl-4-pyridin-3-ylimidazol-2-yl)-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 160814045
4-(1-Ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(4-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(4-fluorophenyl)-3-[4-(2-methylpropyl)phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one
CID 160938508
3-[4-[(Dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(4-fluorophenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-(4-fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one
CID 161356596

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one?
The IUPAC name of 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one (CID 157128512) is 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one.
What is the SMILES notation for 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one?
The canonical SMILES for 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one is C=C1NN=C2C3=C1CCCC3CC(c1ccccc1)C2C1=NC(C)=CC1.C=C1NN=C2C3=C1CCCC3CC(c1ccccc1)C2c1cncn1C(C)C.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nccn2C)cc1.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nnc(C)o2)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1ccoc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1cncs1.
What is the InChIKey of 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one?
The InChIKey is AITYRLMAPSDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4.C23H25N3.C22H24N4O.C21H22N4O2.C21H20N2O2.C20H19N3OS/c1-15(2)28-14-25-13-21(28)23-20(17-8-5-4-6-9-17)12-18-10-7-11-19-16(3)26-27-24(23)22(18)19;1-14-11-12-20(24-14)22-19(16-7-4-3-5-8-16)13-17-9-6-10-18-15(2)25-26-23(22)21(17)18;1-13-6-8-14(9-7-13)20-19(22-23-10-11-26(22)2)21-18-15(17(27)12-24-21)4-3-5-16(18)25-20;1-11-6-8-13(9-7-11)19-18(21-25-24-12(2)27-21)20-17-14(16(26)10-22-20)4-3-5-15(17)23-19;24-17-11-22-21-18(14-9-10-25-12-14)20(13-5-2-1-3-6-13)23-16-8-4-7-15(17)19(16)21;24-15-9-22-20-17-13(15)7-4-8-14(17)23-19(12-5-2-1-3-6-12)18(20)16-10-21-11-25-16/h4-6,8-9,13-15,18,20,23,26H,3,7,10-12H2,1-2H3;3-5,7-8,11,17,19,22,25H,2,6,9-10,12-13H2,1H3;6-11,16,19-20,25H,3-5,12H2,1-2H3;6-9,15,18-19,23H,3-5,10H2,1-2H3;1-3,5-6,9-10,12,16,18,20,23H,4,7-8,11H2;1-3,5-6,10-11,14,18-19,23H,4,7-9H2.
What are the key properties of 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one?
4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one has a molecular weight of 2120.75 g/mol, XLogP of 23.45, 13 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-methylidene-12-(5-methyl-3H-pyrrol-2-yl)-11-phenyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-methylidene-11-phenyl-12-(3-propan-2-ylimidazol-4-yl)-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one;3-phenyl-4-(1,3-thiazol-5-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-8-one is sourced from PubChem (CID 157128512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).