C111H116F6N28O5 — CID 158487191
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158487191) has the molecular formula C111H116F6N28O5 and a molecular weight of 2036.33 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158487191 |
| Molecular Formula | C111H116F6N28O5 |
| Molecular Weight | 2036.33 g/mol |
| Exact Mass | 2034.96 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)CC6)c5)cc34)cn2)C1.CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCC6)c5)cc34)cn2)C1.CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCCCC6)c5)cc34)cn2)C1.CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(N6CCOCC6)c5)cc34)cn2)C1 |
| InChI | InChI=1S/C29H30F3N7O.C28H30FN7O.C27H28FN7O2.C27H28FN7O/c1-28(30)6-11-39(18-28)25-5-3-22(16-34-25)35-27(40)26-23-13-20(2-4-24(23)36-37-26)21-12-19(14-33-15-21)17-38-9-7-29(31,32)8-10-38;1-28(29)9-12-36(18-28)25-8-6-21(16-31-25)32-27(37)26-23-14-19(5-7-24(23)33-34-26)20-13-22(17-30-15-20)35-10-3-2-4-11-35;1-27(28)6-7-35(17-27)24-5-3-20(15-30-24)31-26(36)25-22-13-18(2-4-23(22)32-33-25)19-12-21(16-29-14-19)34-8-10-37-11-9-34;1-27(28)8-11-35(17-27)24-7-5-20(15-30-24)31-26(36)25-22-13-18(4-6-23(22)32-33-25)19-12-21(16-29-14-19)34-9-2-3-10-34/h2-5,12-16H,6-11,17-18H2,1H3,(H,35,40)(H,36,37);5-8,13-17H,2-4,9-12,18H2,1H3,(H,32,37)(H,33,34);2-5,12-16H,6-11,17H2,1H3,(H,31,36)(H,32,33);4-7,12-16H,2-3,8-11,17H2,1H3,(H,31,36)(H,32,33) |
| InChIKey | HIFZLCIVODRURJ-UHFFFAOYSA-N |
| XLogP | 19.50 |
| TPSA | 369.39 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2036.33 |
| LogP ≤ 5 | 19.50 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |