C112H95N27O — CID 158989814
3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline (PubChem CID 158989814) has the molecular formula C112H95N27O and a molecular weight of 1835.18 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline.
| Compound Name | 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline |
|---|---|
| PubChem CID | 158989814 |
| Molecular Formula | C112H95N27O |
| Molecular Weight | 1835.18 g/mol |
| Exact Mass | 1833.82 |
| IUPAC Name | 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline |
| SMILES | CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cnc2ccccc12.Cc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C |
| InChI | InChI=1S/C24H17N5.2C23H22N6.C21H17N5O.C21H17N5/c1-14-16-6-2-3-7-19(16)25-13-18(14)15-10-11-20-17(12-15)23(29-28-20)24-26-21-8-4-5-9-22(21)27-24;1-14-16(13-29(2)3)11-24-12-18(14)15-8-9-19-17(10-15)22(28-27-19)23-25-20-6-4-5-7-21(20)26-23;1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-12-10-22-11-16(13(12)2)14-7-8-17-15(9-14)20(26-25-17)21-23-18-5-3-4-6-19(18)24-21/h2-13H,1H3,(H,26,27)(H,28,29);4-12H,13H2,1-3H3,(H,25,26)(H,27,28);4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);3-11H,1-2H3,(H,23,24)(H,25,26) |
| InChIKey | JQACPRFVDQLJPA-UHFFFAOYSA-N |
| XLogP | 23.51 |
| TPSA | 386.75 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1835.18 |
| LogP ≤ 5 | 23.51 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 18 |