C120H146N28O15S2 — CID 159960805
N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 159960805) has the molecular formula C120H146N28O15S2 and a molecular weight of 2284.80 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
| Compound Name | N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide |
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| PubChem CID | 159960805 |
| Molecular Formula | C120H146N28O15S2 |
| Molecular Weight | 2284.80 g/mol |
| Exact Mass | 2283.10 |
| IUPAC Name | N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide |
| SMILES | O=C(Nc1cc(N2CCOCC2)ccc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cc(N2CCOCC2)ccc1N1CCCCC1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cc(OCCN2CCOCC2)ccc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cc(OCCN2CCOCC2)ccc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cc(OCCN2CCOCC2)ccc1N1CCCCC1)c1csc(-c2cn[nH]c2)n1 |
| InChI | InChI=1S/C26H32N6O3.C25H31N5O4.C24H30N6O3S.C23H27N5O3.C22H26N6O2S/c33-26(23-6-4-5-22(29-23)20-18-27-28-19-20)30-24-17-21(35-16-13-31-11-14-34-15-12-31)7-8-25(24)32-9-2-1-3-10-32;31-25(24-7-6-23(34-24)19-17-26-27-18-19)28-21-16-20(33-15-12-29-10-13-32-14-11-29)4-5-22(21)30-8-2-1-3-9-30;31-23(21-17-34-24(28-21)18-15-25-26-16-18)27-20-14-19(33-13-10-29-8-11-32-12-9-29)4-5-22(20)30-6-2-1-3-7-30;29-23(22-7-6-21(31-22)17-15-24-25-16-17)26-19-14-18(27-10-12-30-13-11-27)4-5-20(19)28-8-2-1-3-9-28;29-21(19-15-31-22(26-19)16-13-23-24-14-16)25-18-12-17(27-8-10-30-11-9-27)4-5-20(18)28-6-2-1-3-7-28/h4-8,17-19H,1-3,9-16H2,(H,27,28)(H,30,33);4-7,16-18H,1-3,8-15H2,(H,26,27)(H,28,31);4-5,14-17H,1-3,6-13H2,(H,25,26)(H,27,31);4-7,14-16H,1-3,8-13H2,(H,24,25)(H,26,29);4-5,12-15H,1-3,6-11H2,(H,23,24)(H,25,29) |
| InChIKey | ODHKWDHLKCJCRI-UHFFFAOYSA-N |
| XLogP | 17.90 |
| TPSA | 460.09 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2284.80 |
| LogP ≤ 5 | 17.90 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
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