C130H107F4N21O12S — CID 161414983
benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide (PubChem CID 161414983) has the molecular formula C130H107F4N21O12S and a molecular weight of 2263.48 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide.
| Compound Name | benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 161414983 |
| Molecular Formula | C130H107F4N21O12S |
| Molecular Weight | 2263.48 g/mol |
| Exact Mass | 2261.81 |
| IUPAC Name | benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide |
| SMILES | CCOCCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(NCCc1nccs1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)C1CC1.O=C(N[C@H]1CCOC1=O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(Nc1cccc2c(-c3cccc(F)c3)n[nH]c12)c1cccc(Oc2ccccc2)c1 |
| InChI | InChI=1S/C26H18FN3O2.C24H21FN4O3.C23H18N4OS.C21H16N4O3.C18H18FN3O2.C18H16FN3O/c27-19-9-4-7-17(15-19)24-22-13-6-14-23(25(22)30-29-24)28-26(31)18-8-5-12-21(16-18)32-20-10-2-1-3-11-20;1-15(26-24(31)32-14-16-6-3-2-4-7-16)23(30)27-19-10-11-20-21(13-19)28-29-22(20)17-8-5-9-18(25)12-17;28-23(25-10-9-21-24-11-12-29-21)18-7-8-20-19(14-18)22(27-26-20)17-6-5-15-3-1-2-4-16(15)13-17;26-20(23-18-9-10-28-21(18)27)13-6-7-16-14(11-13)19(25-24-16)17-8-5-12-3-1-2-4-15(12)22-17;1-2-24-9-8-20-18(23)13-6-7-16-15(11-13)17(22-21-16)12-4-3-5-14(19)10-12;19-14-3-1-2-13(9-14)17-15-8-11(4-7-16(15)21-22-17)10-20-18(23)12-5-6-12/h1-16H,(H,28,31)(H,29,30);2-13,15H,14H2,1H3,(H,26,31)(H,27,30)(H,28,29);1-8,11-14H,9-10H2,(H,25,28)(H,26,27);1-8,11,18H,9-10H2,(H,23,26)(H,24,25);3-7,10-11H,2,8-9H2,1H3,(H,20,23)(H,21,22);1-4,7-9,12H,5-6,10H2,(H,20,23)(H,21,22)/t;15-;;18-;;/m.0.0../s1 |
| InChIKey | VVYRAUVFUXAMBS-MZMANGCISA-N |
| XLogP | 25.20 |
| TPSA | 455.55 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2263.48 |
| LogP ≤ 5 | 25.20 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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