C197H191F10N33O23 — CID 163437161
N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide (PubChem CID 163437161) has the molecular formula C197H191F10N33O23 and a molecular weight of 3578.88 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide.
| Compound Name | N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 163437161 |
| Molecular Formula | C197H191F10N33O23 |
| Molecular Weight | 3578.88 g/mol |
| Exact Mass | 3576.46 |
| IUPAC Name | N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide |
| SMILES | COc1cc(C(=O)NC(CN)c2cccc(OC)c2)cc(-c2ccc3n[nH]c(C)c3c2)c1.COc1cc(C(=O)NC(CN)c2cccc(OC)c2)cc(-c2ccc3n[nH]c(F)c3c2)c1.COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1.COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1.COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC)c1.COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC(F)F)c1.COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC)c1.COc1cccc(C2(NC(=O)c3cc(-c4ccc5n[nH]c(C)c5c4)ccn3)CCNC2)c1 |
| InChI | InChI=1S/C25H23F3N4O3.C25H24F2N4O3.C25H25N5O2.2C25H26N4O3.C24H21F3N4O3.2C24H23FN4O3/c1-14-19-11-15(6-8-21(19)32-31-14)16-7-9-23(35-25(26,27)28)20(12-16)24(33)30-22(13-29)17-4-3-5-18(10-17)34-2;1-14-19-11-15(6-8-21(19)31-30-14)16-7-9-23(34-25(26)27)20(12-16)24(32)29-22(13-28)17-4-3-5-18(10-17)33-2;1-16-21-12-17(6-7-22(21)30-29-16)18-8-10-27-23(13-18)24(31)28-25(9-11-26-15-25)19-4-3-5-20(14-19)32-2;1-15-20-12-16(7-9-22(20)29-28-15)17-8-10-24(32-3)21(13-17)25(30)27-23(14-26)18-5-4-6-19(11-18)31-2;1-15-22-13-16(7-8-23(22)29-28-15)18-9-19(12-21(11-18)32-3)25(30)27-24(14-26)17-5-4-6-20(10-17)31-2;1-33-16-4-2-3-15(9-16)20(12-28)29-23(32)18-11-14(6-8-21(18)34-24(26)27)13-5-7-19-17(10-13)22(25)31-30-19;1-31-17-5-3-4-16(10-17)21(13-26)27-24(30)19-12-15(7-9-22(19)32-2)14-6-8-20-18(11-14)23(25)29-28-20;1-31-18-5-3-4-15(9-18)22(13-26)27-24(30)17-8-16(10-19(11-17)32-2)14-6-7-21-20(12-14)23(25)29-28-21/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32);3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31);3-8,10,12-14,26H,9,11,15H2,1-2H3,(H,28,31)(H,29,30);4-13,23H,14,26H2,1-3H3,(H,27,30)(H,28,29);4-13,24H,14,26H2,1-3H3,(H,27,30)(H,28,29);2-11,20,24H,12,28H2,1H3,(H,29,32)(H,30,31);3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29);3-12,22H,13,26H2,1-2H3,(H,27,30)(H,28,29) |
| InChIKey | AVMMTGQGMRTXFX-UHFFFAOYSA-N |
| XLogP | 33.03 |
| TPSA | 807.75 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 263 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3578.88 |
| LogP ≤ 5 | 33.03 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 40 |