C70H72N18O10 — CID 160857788
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 160857788) has the molecular formula C70H72N18O10 and a molecular weight of 1325.46 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
| Compound Name | 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 160857788 |
| Molecular Formula | C70H72N18O10 |
| Molecular Weight | 1325.46 g/mol |
| Exact Mass | 1324.57 |
| IUPAC Name | 6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide |
| SMILES | COCCOCCn1cc(NC(=O)c2cccc(-c3ccn[nH]3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cncc(C)c3)n2)c(-c2ccccn2)n1 |
| InChI | InChI=1S/C25H26N6O3.C23H23N5O4.C22H23N7O3/c1-18-14-19(16-26-15-18)20-7-5-8-22(28-20)25(32)29-23-17-31(10-11-34-13-12-33-2)30-24(23)21-6-3-4-9-27-21;1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17;1-31-13-14-32-12-11-29-15-20(21(28-29)18-5-2-3-9-23-18)26-22(30)19-7-4-6-16(25-19)17-8-10-24-27-17/h3-9,14-17H,10-13H2,1-2H3,(H,29,32);2-9,11,15-16H,10,12-14H2,1H3,(H,26,29);2-10,15H,11-14H2,1H3,(H,24,27)(H,26,30) |
| InChIKey | SKBXZAIVLIXSLR-UHFFFAOYSA-N |
| XLogP | 9.79 |
| TPSA | 328.19 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 98 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1325.46 |
| LogP ≤ 5 | 9.79 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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