C133H128N32O — CID 158577324
5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol;N-[[4-methyl-5-[3-[4-(4-methylphenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 158577324) has the molecular formula C133H128N32O and a molecular weight of 2190.71 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol;N-[[4-methyl-5-[3-[4-(4-methylphenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
| Compound Name | 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol;N-[[4-methyl-5-[3-[4-(4-methylphenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine |
|---|---|
| PubChem CID | 158577324 |
| Molecular Formula | C133H128N32O |
| Molecular Weight | 2190.71 g/mol |
| Exact Mass | 2189.09 |
| IUPAC Name | 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-ol;N-[[4-methyl-5-[3-[4-(4-methylphenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[4-methyl-5-[3-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine |
| SMILES | CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(C)cc6)cccc5[nH]4)c3c2)c1C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCC6)cccc5[nH]4)c3c2)c1C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1C.Cc1c(O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 |
| InChI | InChI=1S/C30H28N6.C28H25N7.C28H31N7.C27H29N7.C20H15N5O/c1-4-31-15-22-16-32-17-25(19(22)3)21-12-13-26-24(14-21)29(36-35-26)30-33-27-7-5-6-23(28(27)34-30)20-10-8-18(2)9-11-20;1-3-29-14-20-15-31-16-23(17(20)2)18-9-10-24-22(12-18)27(35-34-24)28-32-25-8-4-7-21(26(25)33-28)19-6-5-11-30-13-19;1-3-29-15-20-16-30-17-22(18(20)2)19-10-11-23-21(14-19)26(34-33-23)28-31-24-8-7-9-25(27(24)32-28)35-12-5-4-6-13-35;1-3-28-14-19-15-29-16-21(17(19)2)18-9-10-22-20(13-18)25(33-32-22)27-30-23-7-6-8-24(26(23)31-27)34-11-4-5-12-34;1-11-14(9-21-10-18(11)26)12-6-7-15-13(8-12)19(25-24-15)20-22-16-4-2-3-5-17(16)23-20/h5-14,16-17,31H,4,15H2,1-3H3,(H,33,34)(H,35,36);4-13,15-16,29H,3,14H2,1-2H3,(H,32,33)(H,34,35);7-11,14,16-17,29H,3-6,12-13,15H2,1-2H3,(H,31,32)(H,33,34);6-10,13,15-16,28H,3-5,11-12,14H2,1-2H3,(H,30,31)(H,32,33);2-10,26H,1H3,(H,22,23)(H,24,25) |
| InChIKey | HSUZPNHZBGWESF-UHFFFAOYSA-N |
| XLogP | 27.15 |
| TPSA | 438.97 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.71 |
| LogP ≤ 5 | 27.15 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 23 |