C108H110N28O9 — CID 157111381
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157111381) has the molecular formula C108H110N28O9 and a molecular weight of 1944.25 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157111381 |
| Molecular Formula | C108H110N28O9 |
| Molecular Weight | 1944.25 g/mol |
| Exact Mass | 1942.90 |
| IUPAC Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(=O)N5CCCC5)nc4)c3c2)c1.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C28H29N7O2.C27H27N7O3.C27H27N7O2.C26H27N7O2/c36-27(31-21-7-9-25(30-17-21)28(37)35-12-4-5-13-35)26-23-15-19(6-8-24(23)32-33-26)20-14-22(18-29-16-20)34-10-2-1-3-11-34;35-26(30-20-4-6-24(29-16-20)27(36)34-7-1-2-8-34)25-22-14-18(3-5-23(22)31-32-25)19-13-21(17-28-15-19)33-9-11-37-12-10-33;35-26(30-20-6-8-24(29-16-20)27(36)34-11-3-4-12-34)25-22-14-18(5-7-23(22)31-32-25)19-13-21(17-28-15-19)33-9-1-2-10-33;1-32(2)16-17-11-19(14-27-13-17)18-5-7-22-21(12-18)24(31-30-22)25(34)29-20-6-8-23(28-15-20)26(35)33-9-3-4-10-33/h6-9,14-18H,1-5,10-13H2,(H,31,36)(H,32,33);3-6,13-17H,1-2,7-12H2,(H,30,35)(H,31,32);5-8,13-17H,1-4,9-12H2,(H,30,35)(H,31,32);5-8,11-15H,3-4,9-10,16H2,1-2H3,(H,29,34)(H,30,31) |
| InChIKey | AGWVOKMNPQVFMB-UHFFFAOYSA-N |
| XLogP | 15.52 |
| TPSA | 437.67 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1944.25 |
| LogP ≤ 5 | 15.52 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |