C112H115F3N26O6 — CID 157404544
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157404544) has the molecular formula C112H115F3N26O6 and a molecular weight of 1978.32 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157404544 |
| Molecular Formula | C112H115F3N26O6 |
| Molecular Weight | 1978.32 g/mol |
| Exact Mass | 1976.94 |
| IUPAC Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C30H28N6O.C29H34N8O.C28H31N7O2.C25H22F3N5O2/c37-30(33-25-10-12-27(32-19-25)22-7-3-1-4-8-22)29-26-16-23(9-11-28(26)34-35-29)24-15-21(17-31-18-24)20-36-13-5-2-6-14-36;1-35-11-13-37(14-12-35)27-8-6-24(19-31-27)32-29(38)28-25-16-22(5-7-26(25)33-34-28)23-15-21(17-30-18-23)20-36-9-3-2-4-10-36;36-28(31-23-5-7-26(30-18-23)35-10-12-37-13-11-35)27-24-15-21(4-6-25(24)32-33-27)22-14-20(16-29-17-22)19-34-8-2-1-3-9-34;26-25(27,28)19-2-4-20(5-3-19)30-24(34)23-21-12-17(1-6-22(21)31-32-23)18-11-16(13-29-14-18)15-33-7-9-35-10-8-33/h1,3-4,7-12,15-19H,2,5-6,13-14,20H2,(H,33,37)(H,34,35);5-8,15-19H,2-4,9-14,20H2,1H3,(H,32,38)(H,33,34);4-7,14-18H,1-3,8-13,19H2,(H,31,36)(H,32,33);1-6,11-14H,7-10,15H2,(H,30,34)(H,31,32) |
| InChIKey | BNOJUDSGDPARLG-UHFFFAOYSA-N |
| XLogP | 18.76 |
| TPSA | 362.49 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1978.32 |
| LogP ≤ 5 | 18.76 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |