C120H120F4N34O6 — CID 157080153
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157080153) has the molecular formula C120H120F4N34O6 and a molecular weight of 2210.50 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157080153 |
| Molecular Formula | C120H120F4N34O6 |
| Molecular Weight | 2210.50 g/mol |
| Exact Mass | 2209.01 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)c1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C28H32N6O2.C24H23F2N7O.C23H21F2N7O.C23H23N7O.C22H21N7O/c1-33(2)17-19-4-3-5-23(13-19)30-28(36)27-25-14-21(6-7-26(25)31-32-27)22-12-20(15-29-16-22)18-34-10-8-24(35)9-11-34;1-15-28-12-19(13-29-15)30-23(34)22-20-9-17(2-3-21(20)31-32-22)18-8-16(10-27-11-18)14-33-6-4-24(25,26)5-7-33;1-14-27-10-18(11-28-14)29-22(33)21-19-7-16(2-3-20(19)30-31-21)17-6-15(8-26-9-17)12-32-5-4-23(24,25)13-32;1-15-25-12-18(13-26-15)27-23(31)22-20-10-16(5-6-21(20)28-29-22)17-9-19(14-24-11-17)30-7-3-2-4-8-30;1-14-24-11-17(12-25-14)26-22(30)21-19-9-15(4-5-20(19)27-28-21)16-8-18(13-23-10-16)29-6-2-3-7-29/h3-7,12-16,24,35H,8-11,17-18H2,1-2H3,(H,30,36)(H,31,32);2-3,8-13H,4-7,14H2,1H3,(H,30,34)(H,31,32);2-3,6-11H,4-5,12-13H2,1H3,(H,29,33)(H,30,31);5-6,9-14H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);4-5,8-13H,2-3,6-7H2,1H3,(H,26,30)(H,27,28) |
| InChIKey | ADLDREGMBKJCKK-UHFFFAOYSA-N |
| XLogP | 19.46 |
| TPSA | 496.14 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2210.50 |
| LogP ≤ 5 | 19.46 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 30 |