C112H124F2N30O6 — CID 157200755
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157200755) has the molecular formula C112H124F2N30O6 and a molecular weight of 2024.42 g/mol. Its IUPAC name is N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157200755 |
| Molecular Formula | C112H124F2N30O6 |
| Molecular Weight | 2024.42 g/mol |
| Exact Mass | 2023.03 |
| IUPAC Name | N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)CC1.CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(F)(F)C6)c5)cc34)cn2)CC1.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C30H36N8O2.C28H30F2N8O.C27H29N7O2.C27H29N7O/c1-36-10-12-38(13-11-36)20-25-4-3-24(18-32-25)33-30(40)29-27-15-22(2-5-28(27)34-35-29)23-14-21(16-31-17-23)19-37-8-6-26(39)7-9-37;1-36-8-10-38(11-9-36)25-5-3-22(16-32-25)33-27(39)26-23-13-20(2-4-24(23)34-35-26)21-12-19(14-31-15-21)17-37-7-6-28(29,30)18-37;35-27(30-22-3-4-23(29-16-22)18-33-6-1-7-33)26-24-13-20(2-5-25(24)31-32-26)21-12-19(14-28-15-21)17-34-8-10-36-11-9-34;35-27(30-22-5-6-23(29-16-22)18-34-10-3-11-34)26-24-13-20(4-7-25(24)31-32-26)21-12-19(14-28-15-21)17-33-8-1-2-9-33/h2-5,14-18,26,39H,6-13,19-20H2,1H3,(H,33,40)(H,34,35);2-5,12-16H,6-11,17-18H2,1H3,(H,33,39)(H,34,35);2-5,12-16H,1,6-11,17-18H2,(H,30,35)(H,31,32);4-7,12-16H,1-3,8-11,17-18H2,(H,30,35)(H,31,32) |
| InChIKey | AQTPOKMDMOCUTI-UHFFFAOYSA-N |
| XLogP | 14.23 |
| TPSA | 396.10 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2024.42 |
| LogP ≤ 5 | 14.23 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 28 |