C86H92Cl2N30O10 — CID 159371234
5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 159371234) has the molecular formula C86H92Cl2N30O10 and a molecular weight of 1776.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide.
| Compound Name | 5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide |
|---|---|
| PubChem CID | 159371234 |
| Molecular Formula | C86H92Cl2N30O10 |
| Molecular Weight | 1776.79 g/mol |
| Exact Mass | 1774.70 |
| IUPAC Name | 5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;5-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrimidine-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide |
| SMILES | COc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1ncc(Cl)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCNCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2ccnc2[nH]1 |
| InChI | InChI=1S/C23H23ClN6O3.C21H21ClN8O3.C21H21N9O2.C21H27N7O2/c1-32-20-5-3-15(24)11-16(20)23(31)28-19-12-25-29-21(19)22-26-17-4-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;1-32-21-23-9-13(22)17(28-21)20(31)27-16-10-24-29-18(16)19-25-14-3-2-12(8-15(14)26-19)11-30-4-6-33-7-5-30;31-20(17-12-30-4-3-22-21(30)27-17)26-16-10-23-28-18(16)19-24-14-2-1-13(9-15(14)25-19)11-29-5-7-32-8-6-29;29-21(15-3-5-22-6-4-15)26-18-12-23-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-7-9-30-10-8-28/h2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-3,8-10H,4-7,11H2,1H3,(H,24,29)(H,25,26)(H,27,31);1-4,9-10,12H,5-8,11H2,(H,22,27)(H,23,28)(H,24,25)(H,26,31);1-2,11-12,15,22H,3-10,13H2,(H,23,27)(H,24,25)(H,26,29) |
| InChIKey | LJTQRSZEAFHOHC-UHFFFAOYSA-N |
| XLogP | 9.93 |
| TPSA | 485.08 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1776.79 |
| LogP ≤ 5 | 9.93 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 27 |