C132H133F7N18O7 — CID 157414431
N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-(3-phenylpropyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 157414431) has the molecular formula C132H133F7N18O7 and a molecular weight of 2216.62 g/mol. Its IUPAC name is N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-(3-phenylpropyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
| Compound Name | N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-(3-phenylpropyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157414431 |
| Molecular Formula | C132H133F7N18O7 |
| Molecular Weight | 2216.62 g/mol |
| Exact Mass | 2215.05 |
| IUPAC Name | N-cyclohexyl-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-(3-phenylpropyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide |
| SMILES | COc1cccc(F)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(CC(O)c5ccccc5C)C4)cc32)ccn1.O=C(CC1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccncc1)=NC2.O=C(NC1CCCCC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(NC1CCCCN(CCCc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1 |
| InChI | InChI=1S/C30H33N3O2.C28H26F3N3O2.C28H31N5O.C27H23F4N3O.C19H20N4O/c1-20-6-3-4-8-26(20)29(35)19-33-13-5-7-22(18-33)15-28(34)23-9-10-25-17-32-30(27(25)16-23)24-11-12-31-21(2)14-24;1-36-26-4-2-3-24(29)23(26)16-34-15-18(13-28(30,31)17-34)11-25(35)20-5-6-21-14-33-27(22(21)12-20)19-7-9-32-10-8-19;34-28(23-11-12-26-25(19-23)27(32-31-26)22-13-15-29-16-14-22)30-24-10-4-5-17-33(20-24)18-6-9-21-7-2-1-3-8-21;28-23-2-1-3-24(29)22(23)15-34-14-17(12-27(30,31)16-34)10-25(35)19-4-5-20-13-33-26(21(20)11-19)18-6-8-32-9-7-18;24-19(21-15-4-2-1-3-5-15)14-6-7-17-16(12-14)18(23-22-17)13-8-10-20-11-9-13/h3-4,6,8-12,14,16,22,29,35H,5,7,13,15,17-19H2,1-2H3;2-10,12,18H,11,13-17H2,1H3;1-3,7-8,11-16,19,24H,4-6,9-10,17-18,20H2,(H,30,34)(H,31,32);1-9,11,17H,10,12-16H2;6-12,15H,1-5H2,(H,21,24)(H,22,23)/t22-,29?;;;;/m0..../s1 |
| InChIKey | BORDCYZJGXTBPT-FCMQFPJKSA-N |
| XLogP | 24.35 |
| TPSA | 310.72 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2216.62 |
| LogP ≤ 5 | 24.35 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |