N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide
C285H309F16N25O14S — CID 158717991
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide
SMILESC.C.C.C.C.C.C.C.CC1(C)CCN(c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)CC1.COc1cc2c(cc1OC)C(c1ccccc1)N(CCCNC(=O)c1ccc(CN3C(=O)C(c4ccc(F)cc4F)=C(c4ccc(F)cc4F)C3=O)cc1)CC2.Cc1ccc(-c2ccc3c(c2)C(C(=O)NCc2ccc(CN4CCN(c5ccccc5)CC4)cc2)=CC3)cc1F.Cc1ccc(-c2ccc3c(c2)C(C(=O)NCc2ccc(CN4CCN(c5ccccc5)CC4)cc2)=CC3)cc1F.Cc1ccc(Cn2ccc3cc(C(=O)NCCCN(CCSc4ccccc4)Cc4ccc5c(c4)OCO5)ccc32)c(C(F)(F)F)c1.Cc1ccc(Cn2ccc3cc(C(=O)NCCCN4CCC(Cc5ccccc5)CC4)ccc32)c(C(F)(F)F)c1.Cc1ccc(Cn2ccc3cc(C(=O)NCc4ccc(CN5CCN(c6ccccc6)CC5)cc4)ccc32)c(C(F)(F)F)c1.O=C(NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C44H37F4N3O5.C37H36F3N3O3S.C36H35F3N4O.2C35H34FN3O.C33H36F3N3O.C31H30FN3O.C26H35N3O.8CH4/c1-55-37-21-29-17-20-50(41(27-7-4-3-5-8-27)34(29)24-38(37)56-2)19-6-18-49-42(52)28-11-9-26(10-12-28)25-51-43(53)39(32-15-13-30(45)22-35(32)47)40(44(51)54)33-16-14-31(46)23-36(33)48;1-26-8-10-30(32(20-26)37(38,39)40)24-43-17-14-28-22-29(11-12-33(28)43)36(44)41-15-5-16-42(18-19-47-31-6-3-2-4-7-31)23-27-9-13-34-35(21-27)46-25-45-34;1-26-7-12-31(33(21-26)36(37,38)39)25-43-16-15-29-22-30(13-14-34(29)43)35(44)40-23-27-8-10-28(11-9-27)24-41-17-19-42(20-18-41)32-5-3-2-4-6-32;2*1-25-7-12-30(22-34(25)36)29-14-13-28-15-16-32(33(28)21-29)35(40)37-23-26-8-10-27(11-9-26)24-38-17-19-39(20-18-38)31-5-3-2-4-6-31;1-24-8-9-29(30(20-24)33(34,35)36)23-39-19-14-27-22-28(10-11-31(27)39)32(40)37-15-5-16-38-17-12-26(13-18-38)21-25-6-3-2-4-7-25;32-29-16-14-27(15-17-29)26-10-12-28(13-11-26)31(36)33-22-24-6-8-25(9-7-24)23-34-18-20-35(21-19-34)30-4-2-1-3-5-30;1-26(2)13-18-29(19-14-26)24-10-8-22(9-11-24)25(30)27-15-5-16-28-17-12-21-6-3-4-7-23(21)20-28;;;;;;;;/h3-5,7-16,21-24,41H,6,17-20,25H2,1-2H3,(H,49,52);2-4,6-14,17,20-22H,5,15-16,18-19,23-25H2,1H3,(H,41,44);2-16,21-22H,17-20,23-25H2,1H3,(H,40,44);2*2-14,16,21-22H,15,17-20,23-24H2,1H3,(H,37,40);2-4,6-11,14,19-20,22,26H,5,12-13,15-18,21,23H2,1H3,(H,37,40);1-17H,18-23H2,(H,33,36);3-4,6-11H,5,12-20H2,1-2H3,(H,27,30);8*1H4
InChIKeyIJOGGNWQQDVACG-UHFFFAOYSA-N
MW4644.80 g/mol
LogP58.11
Rot. Bonds69
About N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide
N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide (PubChem CID 158717991) has the molecular formula C285H309F16N25O14S and a molecular weight of 4644.80 g/mol. Its IUPAC name is N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide.
Molecular Properties
| Compound Name | N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide |
|---|---|
| PubChem CID | 158717991 |
| Molecular Formula | C285H309F16N25O14S |
| Molecular Weight | 4644.80 g/mol |
| Exact Mass | 4641.37 |
| IUPAC Name | N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide |
| SMILES | C.C.C.C.C.C.C.C.CC1(C)CCN(c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)CC1.COc1cc2c(cc1OC)C(c1ccccc1)N(CCCNC(=O)c1ccc(CN3C(=O)C(c4ccc(F)cc4F)=C(c4ccc(F)cc4F)C3=O)cc1)CC2.Cc1ccc(-c2ccc3c(c2)C(C(=O)NCc2ccc(CN4CCN(c5ccccc5)CC4)cc2)=CC3)cc1F.Cc1ccc(-c2ccc3c(c2)C(C(=O)NCc2ccc(CN4CCN(c5ccccc5)CC4)cc2)=CC3)cc1F.Cc1ccc(Cn2ccc3cc(C(=O)NCCCN(CCSc4ccccc4)Cc4ccc5c(c4)OCO5)ccc32)c(C(F)(F)F)c1.Cc1ccc(Cn2ccc3cc(C(=O)NCCCN4CCC(Cc5ccccc5)CC4)ccc32)c(C(F)(F)F)c1.Cc1ccc(Cn2ccc3cc(C(=O)NCc4ccc(CN5CCN(c6ccccc6)CC5)cc4)ccc32)c(C(F)(F)F)c1.O=C(NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(-c2ccc(F)cc2)cc1 |
| InChI | InChI=1S/C44H37F4N3O5.C37H36F3N3O3S.C36H35F3N4O.2C35H34FN3O.C33H36F3N3O.C31H30FN3O.C26H35N3O.8CH4/c1-55-37-21-29-17-20-50(41(27-7-4-3-5-8-27)34(29)24-38(37)56-2)19-6-18-49-42(52)28-11-9-26(10-12-28)25-51-43(53)39(32-15-13-30(45)22-35(32)47)40(44(51)54)33-16-14-31(46)23-36(33)48;1-26-8-10-30(32(20-26)37(38,39)40)24-43-17-14-28-22-29(11-12-33(28)43)36(44)41-15-5-16-42(18-19-47-31-6-3-2-4-7-31)23-27-9-13-34-35(21-27)46-25-45-34;1-26-7-12-31(33(21-26)36(37,38)39)25-43-16-15-29-22-30(13-14-34(29)43)35(44)40-23-27-8-10-28(11-9-27)24-41-17-19-42(20-18-41)32-5-3-2-4-6-32;2*1-25-7-12-30(22-34(25)36)29-14-13-28-15-16-32(33(28)21-29)35(40)37-23-26-8-10-27(11-9-26)24-38-17-19-39(20-18-38)31-5-3-2-4-6-31;1-24-8-9-29(30(20-24)33(34,35)36)23-39-19-14-27-22-28(10-11-31(27)39)32(40)37-15-5-16-38-17-12-26(13-18-38)21-25-6-3-2-4-7-25;32-29-16-14-27(15-17-29)26-10-12-28(13-11-26)31(36)33-22-24-6-8-25(9-7-24)23-34-18-20-35(21-19-34)30-4-2-1-3-5-30;1-26(2)13-18-29(19-14-26)24-10-8-22(9-11-24)25(30)27-15-5-16-28-17-12-21-6-3-4-7-23(21)20-28;;;;;;;;/h3-5,7-16,21-24,41H,6,17-20,25H2,1-2H3,(H,49,52);2-4,6-14,17,20-22H,5,15-16,18-19,23-25H2,1H3,(H,41,44);2-16,21-22H,17-20,23-25H2,1H3,(H,40,44);2*2-14,16,21-22H,15,17-20,23-24H2,1H3,(H,37,40);2-4,6-11,14,19-20,22,26H,5,12-13,15-18,21,23H2,1H3,(H,37,40);1-17H,18-23H2,(H,33,36);3-4,6-11H,5,12-20H2,1-2H3,(H,27,30);8*1H4 |
| InChIKey | IJOGGNWQQDVACG-UHFFFAOYSA-N |
| XLogP | 58.11 |
| TPSA | 364.01 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 341 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4644.80 |
| LogP ≤ 5 | 58.11 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 31 |
Frequently Asked Questions
What is the IUPAC name of N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide?
The IUPAC name of N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide (CID 158717991) is N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide is C.C.C.C.C.C.C.C.CC1(C)CCN(c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)CC1.COc1cc2c(cc1OC)C(c1ccccc1)N(CCCNC(=O)c1ccc(CN3C(=O)C(c4ccc(F)cc4F)=C(c4ccc(F)cc4F)C3=O)cc1)CC2.Cc1ccc(-c2ccc3c(c2)C(C(=O)NCc2ccc(CN4CCN(c5ccccc5)CC4)cc2)=CC3)cc1F.Cc1ccc(-c2ccc3c(c2)C(C(=O)NCc2ccc(CN4CCN(c5ccccc5)CC4)cc2)=CC3)cc1F.Cc1ccc(Cn2ccc3cc(C(=O)NCCCN(CCSc4ccccc4)Cc4ccc5c(c4)OCO5)ccc32)c(C(F)(F)F)c1.Cc1ccc(Cn2ccc3cc(C(=O)NCCCN4CCC(Cc5ccccc5)CC4)ccc32)c(C(F)(F)F)c1.Cc1ccc(Cn2ccc3cc(C(=O)NCc4ccc(CN5CCN(c6ccccc6)CC5)cc4)ccc32)c(C(F)(F)F)c1.O=C(NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide?
The InChIKey is IJOGGNWQQDVACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37F4N3O5.C37H36F3N3O3S.C36H35F3N4O.2C35H34FN3O.C33H36F3N3O.C31H30FN3O.C26H35N3O.8CH4/c1-55-37-21-29-17-20-50(41(27-7-4-3-5-8-27)34(29)24-38(37)56-2)19-6-18-49-42(52)28-11-9-26(10-12-28)25-51-43(53)39(32-15-13-30(45)22-35(32)47)40(44(51)54)33-16-14-31(46)23-36(33)48;1-26-8-10-30(32(20-26)37(38,39)40)24-43-17-14-28-22-29(11-12-33(28)43)36(44)41-15-5-16-42(18-19-47-31-6-3-2-4-7-31)23-27-9-13-34-35(21-27)46-25-45-34;1-26-7-12-31(33(21-26)36(37,38)39)25-43-16-15-29-22-30(13-14-34(29)43)35(44)40-23-27-8-10-28(11-9-27)24-41-17-19-42(20-18-41)32-5-3-2-4-6-32;2*1-25-7-12-30(22-34(25)36)29-14-13-28-15-16-32(33(28)21-29)35(40)37-23-26-8-10-27(11-9-26)24-38-17-19-39(20-18-38)31-5-3-2-4-6-31;1-24-8-9-29(30(20-24)33(34,35)36)23-39-19-14-27-22-28(10-11-31(27)39)32(40)37-15-5-16-38-17-12-26(13-18-38)21-25-6-3-2-4-7-25;32-29-16-14-27(15-17-29)26-10-12-28(13-11-26)31(36)33-22-24-6-8-25(9-7-24)23-34-18-20-35(21-19-34)30-4-2-1-3-5-30;1-26(2)13-18-29(19-14-26)24-10-8-22(9-11-24)25(30)27-15-5-16-28-17-12-21-6-3-4-7-23(21)20-28;;;;;;;;/h3-5,7-16,21-24,41H,6,17-20,25H2,1-2H3,(H,49,52);2-4,6-14,17,20-22H,5,15-16,18-19,23-25H2,1H3,(H,41,44);2-16,21-22H,17-20,23-25H2,1H3,(H,40,44);2*2-14,16,21-22H,15,17-20,23-24H2,1H3,(H,37,40);2-4,6-11,14,19-20,22,26H,5,12-13,15-18,21,23H2,1H3,(H,37,40);1-17H,18-23H2,(H,33,36);3-4,6-11H,5,12-20H2,1-2H3,(H,27,30);8*1H4.
What are the key properties of N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide?
N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide has a molecular weight of 4644.80 g/mol, XLogP of 58.11, 69 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,3-benzodioxol-5-ylmethyl(2-phenylsulfanylethyl)amino]propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[3-(4-benzylpiperidin-1-yl)propyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;4-[[3,4-bis(2,4-difluorophenyl)-2,5-dioxopyrrol-1-yl]methyl]-N-[3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide;bis(6-(3-fluoro-4-methylphenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3H-indene-1-carboxamide);4-(4-fluorophenyl)-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;methane;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-N-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 158717991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158717991 — identifiers, structure, computed properties (public domain)
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