C150H126F7N23O14 — CID 167564618
5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]benzamide;6-cyclopropyloxy-5-(3,5-difluorophenyl)-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[(4-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide (PubChem CID 167564618) has the molecular formula C150H126F7N23O14 and a molecular weight of 2607.79 g/mol. Its IUPAC name is 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]benzamide;6-cyclopropyloxy-5-(3,5-difluorophenyl)-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[(4-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide.
| Compound Name | 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]benzamide;6-cyclopropyloxy-5-(3,5-difluorophenyl)-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[(4-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide |
|---|---|
| PubChem CID | 167564618 |
| Molecular Formula | C150H126F7N23O14 |
| Molecular Weight | 2607.79 g/mol |
| Exact Mass | 2605.97 |
| IUPAC Name | 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;4-(3-cyanophenyl)-3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]benzamide;6-cyclopropyloxy-5-(3,5-difluorophenyl)-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-2-carboxamide;3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[(4-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(3-oxo-1,2-dihydroisoindol-5-yl)benzamide |
| SMILES | C#Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OCC)cc1.CCOc1cc(C(=O)N(C)Cc2ccc(O)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc2c(c1)C(=O)NC2.CN(Cc1ccc(F)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1.CN(Cc1ccc(F)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(F)c2)c(OC2CC2)n1.N#Cc1cccc(-c2ccc(C(=O)NCc3ccc(F)c4cn[nH]c34)cc2OC2CC2)c1 |
| InChI | InChI=1S/C26H24N4O3.C26H23N3O2.C25H19F2N5O2.C25H19FN4O2.C24H19F3N4O2.C24H22FN3O3/c1-3-33-23-12-17(9-10-21(23)16-7-8-18-13-27-25(31)22(18)11-16)26(32)30(2)15-20-6-4-5-19-14-28-29-24(19)20;1-4-18-9-11-19(12-10-18)23-14-13-20(15-24(23)31-5-2)26(30)29(3)17-22-8-6-7-21-16-27-28-25(21)22;1-32(13-15-2-6-21(27)20-12-29-31-23(15)20)25(33)22-7-5-19(24(30-22)34-18-3-4-18)16-8-14(11-28)9-17(26)10-16;26-22-9-5-18(24-21(22)14-29-30-24)13-28-25(31)17-4-8-20(23(11-17)32-19-6-7-19)16-3-1-2-15(10-16)12-27;1-31(12-13-2-6-20(27)19-11-28-30-22(13)19)24(32)21-7-5-18(23(29-21)33-17-3-4-17)14-8-15(25)10-16(26)9-14;1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)28(2)14-17-8-10-21(29)20-13-26-27-23(17)20/h4-12,14H,3,13,15H2,1-2H3,(H,27,31)(H,28,29);1,6-16H,5,17H2,2-3H3,(H,27,28);2,5-10,12,18H,3-4,13H2,1H3,(H,29,31);1-5,8-11,14,19H,6-7,13H2,(H,28,31)(H,29,30);2,5-11,17H,3-4,12H2,1H3,(H,28,30);4-13,29H,3,14H2,1-2H3,(H,26,27) |
| InChIKey | FCQGAAFSZFUEMT-UHFFFAOYSA-N |
| XLogP | 27.93 |
| TPSA | 480.80 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2607.79 |
| LogP ≤ 5 | 27.93 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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