C103H104F2N28O5 — CID 157155219
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157155219) has the molecular formula C103H104F2N28O5 and a molecular weight of 1852.15 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157155219 |
| Molecular Formula | C103H104F2N28O5 |
| Molecular Weight | 1852.15 g/mol |
| Exact Mass | 1850.87 |
| IUPAC Name | N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C27H27F2N7O.C26H27N7O.C25H25N7O2.C25H25N7O/c28-27(29)6-10-35(11-7-27)17-18-12-20(15-30-14-18)19-2-4-23-22(13-19)25(34-33-23)26(37)32-21-3-5-24(31-16-21)36-8-1-9-36;34-26(29-20-6-8-24(28-16-20)33-11-4-12-33)25-22-14-18(5-7-23(22)30-31-25)19-13-21(17-27-15-19)32-9-2-1-3-10-32;33-25(28-19-3-5-23(27-15-19)32-6-1-7-32)24-21-13-17(2-4-22(21)29-30-24)18-12-20(16-26-14-18)31-8-10-34-11-9-31;33-25(28-19-5-7-23(27-15-19)32-10-3-11-32)24-21-13-17(4-6-22(21)29-30-24)18-12-20(16-26-14-18)31-8-1-2-9-31/h2-5,12-16H,1,6-11,17H2,(H,32,37)(H,33,34);5-8,13-17H,1-4,9-12H2,(H,29,34)(H,30,31);2-5,12-16H,1,6-11H2,(H,28,33)(H,29,30);4-7,12-16H,1-3,8-11H2,(H,28,33)(H,29,30) |
| InChIKey | ALSNGSLJEQYGLA-UHFFFAOYSA-N |
| XLogP | 16.59 |
| TPSA | 369.39 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1852.15 |
| LogP ≤ 5 | 16.59 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |