C124H114N16O14 — CID 160580791
N-cyclopropyl-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (PubChem CID 160580791) has the molecular formula C124H114N16O14 and a molecular weight of 2052.37 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide |
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| PubChem CID | 160580791 |
| Molecular Formula | C124H114N16O14 |
| Molecular Weight | 2052.37 g/mol |
| Exact Mass | 2050.87 |
| IUPAC Name | N-cyclopropyl-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;4-methoxy-3-naphthalen-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1c(C(=O)NCc2ccc(C)o2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.COc1cccc(CNC(=O)c2ccc3n[nH]c(-c4ccc5ccccc5c4)c3c2OC)c1 |
| InChI | InChI=1S/C27H23N3O3.C26H26N4O3.C25H21N3O3.C24H25N3O3.C22H19N3O2/c1-32-21-9-5-6-17(14-21)16-28-27(31)22-12-13-23-24(26(22)33-2)25(30-29-23)20-11-10-18-7-3-4-8-19(18)15-20;1-33-25-20(26(32)27-13-5-15-30-14-4-8-22(30)31)11-12-21-23(25)24(29-28-21)19-10-9-17-6-2-3-7-18(17)16-19;1-15-7-10-19(31-15)14-26-25(29)20-11-12-21-22(24(20)30-2)23(28-27-21)18-9-8-16-5-3-4-6-17(16)13-18;1-14(2)20(13-28)25-24(29)18-10-11-19-21(23(18)30-3)22(27-26-19)17-9-8-15-6-4-5-7-16(15)12-17;1-27-21-17(22(26)23-16-8-9-16)10-11-18-19(21)20(25-24-18)15-7-6-13-4-2-3-5-14(13)12-15/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30);2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,27,32)(H,28,29);3-13H,14H2,1-2H3,(H,26,29)(H,27,28);4-12,14,20,28H,13H2,1-3H3,(H,25,29)(H,26,27);2-7,10-12,16H,8-9H2,1H3,(H,23,26)(H,24,25)/t;;;20-;/m...1./s1 |
| InChIKey | RBTGGVDTRMZPSB-NEQOQZDDSA-N |
| XLogP | 23.11 |
| TPSA | 397.96 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2052.37 |
| LogP ≤ 5 | 23.11 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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