C189H194F2N48O17 — CID 158316739
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158316739) has the molecular formula C189H194F2N48O17 and a molecular weight of 3447.95 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158316739 |
| Molecular Formula | C189H194F2N48O17 |
| Molecular Weight | 3447.95 g/mol |
| Exact Mass | 3445.58 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C28H29F2N7O2.C28H31N7O3.C28H24N6O3.C27H29N7O2.C26H27N7O3.2C26H27N7O2/c29-28(30)5-7-36(8-6-28)18-19-13-21(16-31-15-19)20-1-3-24-23(14-20)26(35-34-24)27(38)33-22-2-4-25(32-17-22)37-9-11-39-12-10-37;36-23-5-7-34(8-6-23)18-19-13-21(16-29-15-19)20-1-3-25-24(14-20)27(33-32-25)28(37)31-22-2-4-26(30-17-22)35-9-11-38-12-10-35;35-28(31-21-7-9-26(30-17-21)34-10-12-36-13-11-34)27-24-15-19(6-8-25(24)32-33-27)20-14-23(18-29-16-20)37-22-4-2-1-3-5-22;35-27(30-21-5-7-25(29-17-21)34-10-12-36-13-11-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-8-2-1-3-9-33;34-26(29-20-2-4-24(28-16-20)33-7-11-36-12-8-33)25-22-14-18(1-3-23(22)30-31-25)19-13-21(17-27-15-19)32-5-9-35-10-6-32;34-26(29-21-3-5-24(28-16-21)33-8-10-35-11-9-33)25-22-13-19(2-4-23(22)30-31-25)20-12-18(14-27-15-20)17-32-6-1-7-32;34-26(29-20-4-6-24(28-16-20)33-9-11-35-12-10-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-7-1-2-8-32/h1-4,13-17H,5-12,18H2,(H,33,38)(H,34,35);1-4,13-17,23,36H,5-12,18H2,(H,31,37)(H,32,33);1-9,14-18H,10-13H2,(H,31,35)(H,32,33);4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32);1-4,13-17H,5-12H2,(H,29,34)(H,30,31);2-5,12-16H,1,6-11,17H2,(H,29,34)(H,30,31);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31) |
| InChIKey | GOISCXRQTGRINO-UHFFFAOYSA-N |
| XLogP | 26.37 |
| TPSA | 730.34 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 256 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3447.95 |
| LogP ≤ 5 | 26.37 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 51 |