C70H77N21O9 — CID 158011553
1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 158011553) has the molecular formula C70H77N21O9 and a molecular weight of 1356.52 g/mol. Its IUPAC name is 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide.
| Compound Name | 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158011553 |
| Molecular Formula | C70H77N21O9 |
| Molecular Weight | 1356.52 g/mol |
| Exact Mass | 1355.62 |
| IUPAC Name | 1-acetyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-dihydroquinoline-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-1H-pyridine-3-carboxamide |
| SMILES | CC(=O)N1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1.COC1Nc2ccccc2C=C1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc[nH]c1=O |
| InChI | InChI=1S/C26H27N7O3.C23H29N7O3.C21H21N7O3/c1-35-26-18(13-17-4-2-3-5-19(17)31-26)25(34)30-22-14-27-32-23(22)24-28-20-7-6-16(12-21(20)29-24)15-33-8-10-36-11-9-33;1-15(31)30-6-4-17(5-7-30)23(32)27-20-13-24-28-21(20)22-25-18-3-2-16(12-19(18)26-22)14-29-8-10-33-11-9-29;29-20-14(2-1-5-22-20)21(30)26-17-11-23-27-18(17)19-24-15-4-3-13(10-16(15)25-19)12-28-6-8-31-9-7-28/h2-7,12-14,26,31H,8-11,15H2,1H3,(H,27,32)(H,28,29)(H,30,34);2-3,12-13,17H,4-11,14H2,1H3,(H,24,28)(H,25,26)(H,27,32);1-5,10-11H,6-9,12H2,(H,22,29)(H,23,27)(H,24,25)(H,26,30) |
| InChIKey | FEYGHYRPSXTKJQ-UHFFFAOYSA-N |
| XLogP | 6.91 |
| TPSA | 371.22 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 100 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1356.52 |
| LogP ≤ 5 | 6.91 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 19 |