C117H130N32O3 — CID 159366893
3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (PubChem CID 159366893) has the molecular formula C117H130N32O3 and a molecular weight of 2032.55 g/mol. Its IUPAC name is 3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.
| Compound Name | 3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole |
|---|---|
| PubChem CID | 159366893 |
| Molecular Formula | C117H130N32O3 |
| Molecular Weight | 2032.55 g/mol |
| Exact Mass | 2031.10 |
| IUPAC Name | 3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole |
| SMILES | CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)c3c2)c1.CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)c3c2)c1.CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)CC1.CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)(C)C)c6)cc45)nc23)CC1 |
| InChI | InChI=1S/C30H34N8O.C30H34N8.C29H32N8O.C28H30N8O/c1-30(2,3)16-26(39)32-21-14-20(17-31-18-21)19-8-9-23-22(15-19)27(36-35-23)29-33-24-6-5-7-25(28(24)34-29)38-12-10-37(4)11-13-38;1-36-12-14-38(15-13-36)27-7-5-6-26-29(27)33-30(32-26)28-24-17-22(8-9-25(24)34-35-28)23-16-21(18-31-19-23)20-37-10-3-2-4-11-37;1-3-4-8-26(38)31-21-15-20(17-30-18-21)19-9-10-23-22(16-19)27(35-34-23)29-32-24-6-5-7-25(28(24)33-29)37-13-11-36(2)12-14-37;1-3-5-25(37)30-20-14-19(16-29-17-20)18-8-9-22-21(15-18)26(34-33-22)28-31-23-6-4-7-24(27(23)32-28)36-12-10-35(2)11-13-36/h5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,32,39)(H,33,34)(H,35,36);5-9,16-19H,2-4,10-15,20H2,1H3,(H,32,33)(H,34,35);5-7,9-10,15-18H,3-4,8,11-14H2,1-2H3,(H,31,38)(H,32,33)(H,34,35);4,6-9,14-17H,3,5,10-13H2,1-2H3,(H,30,37)(H,31,32)(H,33,34) |
| InChIKey | LJFYRWLSDJDWON-UHFFFAOYSA-N |
| XLogP | 19.91 |
| TPSA | 397.46 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2032.55 |
| LogP ≤ 5 | 19.91 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |