C107H112F2N28O5 — CID 159956877
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159956877) has the molecular formula C107H112F2N28O5 and a molecular weight of 1908.26 g/mol. Its IUPAC name is N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159956877 |
| Molecular Formula | C107H112F2N28O5 |
| Molecular Weight | 1908.26 g/mol |
| Exact Mass | 1906.93 |
| IUPAC Name | N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C28H29F2N7O.C27H29N7O.C26H27N7O2.C26H27N7O/c29-28(30)6-10-37(11-7-28)17-19-12-21(15-31-14-19)20-2-5-25-24(13-20)26(35-34-25)27(38)33-22-3-4-23(32-16-22)18-36-8-1-9-36;35-27(30-21-6-7-22(29-16-21)18-33-9-4-10-33)26-24-14-19(5-8-25(24)31-32-26)20-13-23(17-28-15-20)34-11-2-1-3-12-34;34-26(29-20-3-4-21(28-15-20)17-32-6-1-7-32)25-23-13-18(2-5-24(23)30-31-25)19-12-22(16-27-14-19)33-8-10-35-11-9-33;34-26(29-20-5-6-21(28-15-20)17-32-8-3-9-32)25-23-13-18(4-7-24(23)30-31-25)19-12-22(16-27-14-19)33-10-1-2-11-33/h2-5,12-16H,1,6-11,17-18H2,(H,33,38)(H,34,35);5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32);2-5,12-16H,1,6-11,17H2,(H,29,34)(H,30,31);4-7,12-16H,1-3,8-11,17H2,(H,29,34)(H,30,31) |
| InChIKey | OCVFBXCCCXICTP-UHFFFAOYSA-N |
| XLogP | 16.57 |
| TPSA | 369.39 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1908.26 |
| LogP ≤ 5 | 16.57 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |