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

C170H184F2N24O9S — CID 159027838

IUPAC3-[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
SMILESC.CC1CCC2NC(c3ccccc3)C(c3nccn3C)C3=NCC(=O)C1=C32.CN1CCN(Cc2ccc(C3NC4CCCC5=C4C(=NCC5=O)C3c3ccc(F)cc3)cc2)CC1.CN1CCN(Cc2ccc(C3NC4CCCC5=C4C(=NCC5=O)C3c3ccccc3)cc2)CC1.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nnc(C)o2)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccc(CN3CCC3)cc1)C2c1ccc(F)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1ccoc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1cncs1
InChIInChI=1S/C29H33FN4O.C29H34N4O.C27H28FN3O.C22H24N4O.C21H22N4O2.C21H20N2O2.C20H19N3OS.CH4/c1-33-13-15-34(16-14-33)18-19-5-7-21(8-6-19)28-26(20-9-11-22(30)12-10-20)29-27-23(25(35)17-31-29)3-2-4-24(27)32-28;1-32-14-16-33(17-15-32)19-20-10-12-22(13-11-20)28-26(21-6-3-2-4-7-21)29-27-23(25(34)18-30-29)8-5-9-24(27)31-28;28-20-11-9-18(10-12-20)24-26(19-7-5-17(6-8-19)16-31-13-2-14-31)30-22-4-1-3-21-23(32)15-29-27(24)25(21)22;1-13-8-9-15-18-17(13)16(27)12-24-21(18)19(22-23-10-11-26(22)2)20(25-15)14-6-4-3-5-7-14;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;/h5-12,24,26,28,32H,2-4,13-18H2,1H3;2-4,6-7,10-13,24,26,28,31H,5,8-9,14-19H2,1H3;5-12,22,24,26,30H,1-4,13-16H2;3-7,10-11,13,15,19-20,25H,8-9,12H2,1-2H3;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;1H4
InChIKeyJUMQTQHIVBXWPM-UHFFFAOYSA-N
MW2777.56 g/mol
LogP25.56
Rot. Bonds20

About 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

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 (PubChem CID 159027838) has the molecular formula C170H184F2N24O9S and a molecular weight of 2777.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159027838
Molecular FormulaC170H184F2N24O9S
Molecular Weight2777.56 g/mol
Exact Mass2775.44
IUPAC Name3-[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
SMILESC.CC1CCC2NC(c3ccccc3)C(c3nccn3C)C3=NCC(=O)C1=C32.CN1CCN(Cc2ccc(C3NC4CCCC5=C4C(=NCC5=O)C3c3ccc(F)cc3)cc2)CC1.CN1CCN(Cc2ccc(C3NC4CCCC5=C4C(=NCC5=O)C3c3ccccc3)cc2)CC1.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nnc(C)o2)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccc(CN3CCC3)cc1)C2c1ccc(F)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1ccoc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1cncs1
InChIInChI=1S/C29H33FN4O.C29H34N4O.C27H28FN3O.C22H24N4O.C21H22N4O2.C21H20N2O2.C20H19N3OS.CH4/c1-33-13-15-34(16-14-33)18-19-5-7-21(8-6-19)28-26(20-9-11-22(30)12-10-20)29-27-23(25(35)17-31-29)3-2-4-24(27)32-28;1-32-14-16-33(17-15-32)19-20-10-12-22(13-11-20)28-26(21-6-3-2-4-7-21)29-27-23(25(34)18-30-29)8-5-9-24(27)31-28;28-20-11-9-18(10-12-20)24-26(19-7-5-17(6-8-19)16-31-13-2-14-31)30-22-4-1-3-21-23(32)15-29-27(24)25(21)22;1-13-8-9-15-18-17(13)16(27)12-24-21(18)19(22-23-10-11-26(22)2)20(25-15)14-6-4-3-5-7-14;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;/h5-12,24,26,28,32H,2-4,13-18H2,1H3;2-4,6-7,10-13,24,26,28,31H,5,8-9,14-19H2,1H3;5-12,22,24,26,30H,1-4,13-16H2;3-7,10-11,13,15,19-20,25H,8-9,12H2,1-2H3;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;1H4
InChIKeyJUMQTQHIVBXWPM-UHFFFAOYSA-N
XLogP25.56
TPSA389.19 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002777.56
LogP ≤ 525.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC1CCC2NC(c3ccccc3)C(c3nccn3C)C3=NCC(=O)C1=C32.CN1CCN(Cc2ccc(C3NC4CCCC5=C4C(=NCC5=O)C3c3ccc(F)cc3)cc2)CC1.CN1CCN(Cc2ccc(C3NC4CCCC5=C4C(=NCC5=O)C3c3ccccc3)cc2)CC1.Cc1ccc(C2NC3CCCC4=C3C(=NCC4=O)C2c2nnc(C)o2)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccc(CN3CCC3)cc1)C2c1ccc(F)cc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1ccoc1.O=C1CN=C2C3=C1CCCC3NC(c1ccccc1)C2c1cncs1.
What is the InChIKey of 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?
The InChIKey is JUMQTQHIVBXWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O.C29H34N4O.C27H28FN3O.C22H24N4O.C21H22N4O2.C21H20N2O2.C20H19N3OS.CH4/c1-33-13-15-34(16-14-33)18-19-5-7-21(8-6-19)28-26(20-9-11-22(30)12-10-20)29-27-23(25(35)17-31-29)3-2-4-24(27)32-28;1-32-14-16-33(17-15-32)19-20-10-12-22(13-11-20)28-26(21-6-3-2-4-7-21)29-27-23(25(34)18-30-29)8-5-9-24(27)31-28;28-20-11-9-18(10-12-20)24-26(19-7-5-17(6-8-19)16-31-13-2-14-31)30-22-4-1-3-21-23(32)15-29-27(24)25(21)22;1-13-8-9-15-18-17(13)16(27)12-24-21(18)19(22-23-10-11-26(22)2)20(25-15)14-6-4-3-5-7-14;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;/h5-12,24,26,28,32H,2-4,13-18H2,1H3;2-4,6-7,10-13,24,26,28,31H,5,8-9,14-19H2,1H3;5-12,22,24,26,30H,1-4,13-16H2;3-7,10-11,13,15,19-20,25H,8-9,12H2,1-2H3;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;1H4.
What are the key properties of 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?
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 has a molecular weight of 2777.56 g/mol, XLogP of 25.56, 20 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159027838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).