C105H113N27O4 — CID 157241214
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157241214) has the molecular formula C105H113N27O4 and a molecular weight of 1817.24 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157241214 |
| Molecular Formula | C105H113N27O4 |
| Molecular Weight | 1817.24 g/mol |
| Exact Mass | 1815.95 |
| IUPAC Name | N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCCC1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C29H33N7O.C27H29N7O.C25H26N6O.C24H25N7O/c1-20-13-24(18-31-28(20)36-11-5-6-12-36)32-29(37)27-25-15-22(7-8-26(25)33-34-27)23-14-21(16-30-17-23)19-35-9-3-2-4-10-35;35-27(30-22-6-8-25(29-17-22)34-11-4-12-34)26-23-14-20(5-7-24(23)31-32-26)21-13-19(15-28-16-21)18-33-9-2-1-3-10-33;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;1-16-26-13-20(14-27-16)28-24(32)23-21-10-18(5-6-22(21)29-30-23)19-9-17(11-25-12-19)15-31-7-3-2-4-8-31/h7-8,13-18H,2-6,9-12,19H2,1H3,(H,32,37)(H,33,34);5-8,13-17H,1-4,9-12,18H2,(H,30,35)(H,31,32);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,32)(H,29,30) |
| InChIKey | AVFUZLNMMLWCRW-UHFFFAOYSA-N |
| XLogP | 18.16 |
| TPSA | 366.57 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1817.24 |
| LogP ≤ 5 | 18.16 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 23 |