C129H110F9N19O13 — CID 158034769
N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-1H-indazole-5-carboxamide (PubChem CID 158034769) has the molecular formula C129H110F9N19O13 and a molecular weight of 2305.40 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-1H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-1H-indazole-5-carboxamide |
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| PubChem CID | 158034769 |
| Molecular Formula | C129H110F9N19O13 |
| Molecular Weight | 2305.40 g/mol |
| Exact Mass | 2303.84 |
| IUPAC Name | N-cyclopropyl-6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;6-fluoro-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-1H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3cccc(F)c3)c12.COc1cccc(CNC(=O)c2cc3c(-c4cccc(F)c4)n[nH]c3cc2C)c1.COc1cccc(CNC(=O)c2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)c1.COc1cccc(CNC(=O)c2ccc3[nH]nc(-c4cccc(F)c4)c3c2F)c1.COc1cccc(CNC(=O)c2ccc3n[nH]c(-c4cccc(F)c4)c3c2OC)c1.O=C(NC1CC1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F |
| InChI | InChI=1S/C23H20FN3O3.C23H20FN3O2.2C22H17F2N3O2.C22H23FN4O3.C17H13F2N3O/c1-29-17-8-3-5-14(11-17)13-25-23(28)18-9-10-19-20(22(18)30-2)21(27-26-19)15-6-4-7-16(24)12-15;1-14-9-21-20(22(27-26-21)16-6-4-7-17(24)11-16)12-19(14)23(28)25-13-15-5-3-8-18(10-15)29-2;1-29-16-7-2-4-13(8-16)12-25-22(28)17-10-18-20(11-19(17)24)26-27-21(18)14-5-3-6-15(23)9-14;1-29-16-7-2-4-13(10-16)12-25-22(28)17-8-9-18-19(20(17)24)21(27-26-18)14-5-3-6-15(23)11-14;1-30-21-16(22(29)24-10-4-12-27-11-3-7-18(27)28)8-9-17-19(21)20(26-25-17)14-5-2-6-15(23)13-14;18-10-3-1-2-9(6-10)16-13-7-12(17(23)20-11-4-5-11)14(19)8-15(13)21-22-16/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27);3-12H,13H2,1-2H3,(H,25,28)(H,26,27);2*2-11H,12H2,1H3,(H,25,28)(H,26,27);2,5-6,8-9,13H,3-4,7,10-12H2,1H3,(H,24,29)(H,25,26);1-3,6-8,11H,4-5H2,(H,20,23)(H,21,22) |
| InChIKey | FHPPCZWMHVTAEG-UHFFFAOYSA-N |
| XLogP | 24.35 |
| TPSA | 422.37 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2305.40 |
| LogP ≤ 5 | 24.35 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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