11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

C197H188FN29O4S — CID 158557596

About 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (PubChem CID 158557596) has the molecular formula C197H188FN29O4S and a molecular weight of 3076.93 g/mol. Its IUPAC name is 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

Molecular Properties

• Compound Name: 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
• PubChem CID: 158557596
• Molecular Formula: C197H188FN29O4S
• Molecular Weight: 3076.93 g/mol
• Exact Mass: 3074.51
• IUPAC Name: 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
• SMILES: C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2C1=NC(C)=CC1.C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2c1ccoc1.C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2c1cncn1C(C)C.C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2c1cncs1.C=C1NN=C2c3c(cccc31)NC(c1ccc(CN3CCN(CC)CC3)cc1)C2c1ccccc1.CCCc1cccc(C2C3=NCC(=O)c4cc(F)cc(c43)NC2c2ccccc2)c1.CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2nccn2C)cc1.O=c1[nH]nc2c3c(cccc13)NC(c1ccc(CN3CCCCC3)cc1)C2c1ccccc1
• InChI: InChI=1S/C30H33N5.C28H28N4O.C26H23FN2O.C24H24N4.C23H24N6O.C23H21N3.C22H18N2O.C21H17N3S/c1-3-34-16-18-35(19-17-34)20-22-12-14-24(15-13-22)29-27(23-8-5-4-6-9-23)30-28-25(21(2)32-33-30)10-7-11-26(28)31-29;33-28-22-10-7-11-23-25(22)27(30-31-28)24(20-8-3-1-4-9-20)26(29-23)21-14-12-19(13-15-21)18-32-16-5-2-6-17-32;1-2-7-16-8-6-11-18(12-16)23-25(17-9-4-3-5-10-17)29-21-14-19(27)13-20-22(30)15-28-26(23)24(20)21;1-15(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;1-28(2)13-14-7-9-15(10-8-14)20-19(22-24-11-12-29(22)3)21-18-16(23(30)27-26-21)5-4-6-17(18)25-20;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;1-14-18-9-5-8-16-12-19(15-6-3-2-4-7-15)21(17-10-11-25-13-17)22(20(16)18)24-23-14;1-13-16-9-5-8-15-10-17(14-6-3-2-4-7-14)20(18-11-22-12-25-18)21(19(15)16)24-23-13/h4-15,27,29,31-32H,2-3,16-20H2,1H3;1,3-4,7-15,24,26,29H,2,5-6,16-18H2,(H,31,33);3-6,8-14,23,25,29H,2,7,15H2,1H3;4-11,13-15,20,23,26H,3,12H2,1-2H3;4-12,19-20,25H,13H2,1-3H3,(H,27,30);3-11,19,22,25H,2,12-13H2,1H3;2-11,13,19,21,23H,1,12H2;2-9,11-12,17,20,23H,1,10H2
• InChIKey: HQMFSJAAALHNDD-UHFFFAOYSA-N
• XLogP: 37.75
• TPSA: 377.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3076.93
LogP ≤ 5	37.75
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?

The IUPAC name of 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (CID 158557596) is 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

What is the SMILES notation for 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?

The canonical SMILES for 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2C1=NC(C)=CC1.C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2c1ccoc1.C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2c1cncn1C(C)C.C=C1NN=C2c3c(cccc31)CC(c1ccccc1)C2c1cncs1.C=C1NN=C2c3c(cccc31)NC(c1ccc(CN3CCN(CC)CC3)cc1)C2c1ccccc1.CCCc1cccc(C2C3=NCC(=O)c4cc(F)cc(c43)NC2c2ccccc2)c1.CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2nccn2C)cc1.O=c1[nH]nc2c3c(cccc13)NC(c1ccc(CN3CCCCC3)cc1)C2c1ccccc1.

What is the InChIKey of 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?

The InChIKey is HQMFSJAAALHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5.C28H28N4O.C26H23FN2O.C24H24N4.C23H24N6O.C23H21N3.C22H18N2O.C21H17N3S/c1-3-34-16-18-35(19-17-34)20-22-12-14-24(15-13-22)29-27(23-8-5-4-6-9-23)30-28-25(21(2)32-33-30)10-7-11-26(28)31-29;33-28-22-10-7-11-23-25(22)27(30-31-28)24(20-8-3-1-4-9-20)26(29-23)21-14-12-19(13-15-21)18-32-16-5-2-6-17-32;1-2-7-16-8-6-11-18(12-16)23-25(17-9-4-3-5-10-17)29-21-14-19(27)13-20-22(30)15-28-26(23)24(20)21;1-15(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;1-28(2)13-14-7-9-15(10-8-14)20-19(22-24-11-12-29(22)3)21-18-16(23(30)27-26-21)5-4-6-17(18)25-20;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;1-14-18-9-5-8-16-12-19(15-6-3-2-4-7-15)21(17-10-11-25-13-17)22(20(16)18)24-23-14;1-13-16-9-5-8-15-10-17(14-6-3-2-4-7-14)20(18-11-22-12-25-18)21(19(15)16)24-23-13/h4-15,27,29,31-32H,2-3,16-20H2,1H3;1,3-4,7-15,24,26,29H,2,5-6,16-18H2,(H,31,33);3-6,8-14,23,25,29H,2,7,15H2,1H3;4-11,13-15,20,23,26H,3,12H2,1-2H3;4-12,19-20,25H,13H2,1-3H3,(H,27,30);3-11,19,22,25H,2,12-13H2,1H3;2-11,13,19,21,23H,1,12H2;2-9,11-12,17,20,23H,1,10H2.

What are the key properties of 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?

11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one has a molecular weight of 3076.93 g/mol, XLogP of 37.75, 26 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[(dimethylamino)methyl]phenyl]-12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene;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;12-phenyl-11-[4-(piperidin-1-ylmethyl)phenyl]-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is sourced from PubChem (CID 158557596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).