C115H108F2N30O6 — CID 162005351
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;N-pyridin-2-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 162005351) has the molecular formula C115H108F2N30O6 and a molecular weight of 2044.33 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;N-pyridin-2-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-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;N-pyridin-2-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 162005351 |
| Molecular Formula | C115H108F2N30O6 |
| Molecular Weight | 2044.33 g/mol |
| Exact Mass | 2042.90 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide;N-pyridin-2-yl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C24H22F2N6O.C24H24N6O.C23H22N6O.C22H20N6O2.C22H20N6O/c25-24(26)6-9-32(10-7-24)15-16-11-18(14-27-13-16)17-4-5-20-19(12-17)22(31-30-20)23(33)29-21-3-1-2-8-28-21;31-24(27-22-6-2-3-9-26-22)23-20-13-18(7-8-21(20)28-29-23)19-12-17(14-25-15-19)16-30-10-4-1-5-11-30;30-23(26-21-6-2-3-9-25-21)22-19-13-16(7-8-20(19)27-28-22)17-12-18(15-24-14-17)29-10-4-1-5-11-29;29-22(25-20-3-1-2-6-24-20)21-18-12-15(4-5-19(18)26-27-21)16-11-17(14-23-13-16)28-7-9-30-10-8-28;29-22(25-20-5-1-2-8-24-20)21-18-12-15(6-7-19(18)26-27-21)16-11-17(14-23-13-16)28-9-3-4-10-28/h1-5,8,11-14H,6-7,9-10,15H2,(H,30,31)(H,28,29,33);2-3,6-9,12-15H,1,4-5,10-11,16H2,(H,28,29)(H,26,27,31);2-3,6-9,12-15H,1,4-5,10-11H2,(H,27,28)(H,25,26,30);1-6,11-14H,7-10H2,(H,26,27)(H,24,25,29);1-2,5-8,11-14H,3-4,9-10H2,(H,26,27)(H,24,25,29) |
| InChIKey | YSTJIJWSTBHCER-UHFFFAOYSA-N |
| XLogP | 20.01 |
| TPSA | 443.23 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2044.33 |
| LogP ≤ 5 | 20.01 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |