C127H123F5N30O7 — CID 159200122
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;methane;N-(6-methyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159200122) has the molecular formula C127H123F5N30O7 and a molecular weight of 2276.57 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;methane;N-(6-methyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-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-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;methane;N-(6-methyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159200122 |
| Molecular Formula | C127H123F5N30O7 |
| Molecular Weight | 2276.57 g/mol |
| Exact Mass | 2275.01 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;methane;N-(6-methyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | C.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12 |
| InChI | InChI=1S/C30H27FN6O3.C25H24F2N6O.C24H22F2N6O.C24H24N6O.C23H22N6O.CH4/c31-25-3-1-2-4-27(25)40-28-8-6-22(17-33-28)34-30(39)29-24-14-20(5-7-26(24)35-36-29)21-13-19(15-32-16-21)18-37-11-9-23(38)10-12-37;1-16-2-4-20(14-29-16)30-24(34)23-21-11-18(3-5-22(21)31-32-23)19-10-17(12-28-13-19)15-33-8-6-25(26,27)7-9-33;1-15-2-4-19(12-28-15)29-23(33)22-20-9-17(3-5-21(20)30-31-22)18-8-16(10-27-11-18)13-32-7-6-24(25,26)14-32;1-16-5-7-19(14-26-16)27-24(31)23-21-12-17(6-8-22(21)28-29-23)18-11-20(15-25-13-18)30-9-3-2-4-10-30;1-15-4-6-18(13-25-15)26-23(30)22-20-11-16(5-7-21(20)27-28-22)17-10-19(14-24-12-17)29-8-2-3-9-29;/h1-8,13-17,23,38H,9-12,18H2,(H,34,39)(H,35,36);2-5,10-14H,6-9,15H2,1H3,(H,30,34)(H,31,32);2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31);5-8,11-15H,2-4,9-10H2,1H3,(H,27,31)(H,28,29);4-7,10-14H,2-3,8-9H2,1H3,(H,26,30)(H,27,28);1H4 |
| InChIKey | KPEHXZTZSNIRGF-UHFFFAOYSA-N |
| XLogP | 23.78 |
| TPSA | 463.46 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2276.57 |
| LogP ≤ 5 | 23.78 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 27 |