C128H124F3N29O7 — CID 157275842
bis(N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide);5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157275842) has the molecular formula C128H124F3N29O7 and a molecular weight of 2237.59 g/mol. Its IUPAC name is bis(N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide);5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | bis(N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide);5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157275842 |
| Molecular Formula | C128H124F3N29O7 |
| Molecular Weight | 2237.59 g/mol |
| Exact Mass | 2236.02 |
| IUPAC Name | bis(N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide);5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.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(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C30H28N6O.C25H22F3N5O2.2C25H26N6O.C23H22N6O2/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;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;2*1-17-5-7-21(15-27-17)28-25(32)24-22-12-19(6-8-23(22)29-30-24)20-11-18(13-26-14-20)16-31-9-3-2-4-10-31;30-23(26-19-2-1-5-24-14-19)22-20-11-17(3-4-21(20)27-28-22)18-10-16(12-25-13-18)15-29-6-8-31-9-7-29/h1,3-4,7-12,15-19H,2,5-6,13-14,20H2,(H,33,37)(H,34,35);1-6,11-14H,7-10,15H2,(H,30,34)(H,31,32);2*5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);1-5,10-14H,6-9,15H2,(H,26,30)(H,27,28) |
| InChIKey | AZBXZULRKFKIFM-UHFFFAOYSA-N |
| XLogP | 22.89 |
| TPSA | 439.57 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2237.59 |
| LogP ≤ 5 | 22.89 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |