C123H146N28O14S — CID 157142858
N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 157142858) has the molecular formula C123H146N28O14S and a molecular weight of 2272.77 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
| Compound Name | N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
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| PubChem CID | 157142858 |
| Molecular Formula | C123H146N28O14S |
| Molecular Weight | 2272.77 g/mol |
| Exact Mass | 2271.13 |
| IUPAC Name | N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
| SMILES | O=C(Nc1cc(CC(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cc(CC(=O)N2CCOCC2)ccc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cc(CN2CCOCC2)ccc1N1CCCCC1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cc(CN2CCOCC2)ccc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cc(CN2CCOCC2)ccc1N1CCCCC1)c1csc(-c2cn[nH]c2)n1 |
| InChI | InChI=1S/C26H30N6O3.C25H30N6O2.C25H29N5O4.C24H29N5O3.C23H28N6O2S/c33-25(32-11-13-35-14-12-32)16-19-7-8-24(31-9-2-1-3-10-31)23(15-19)30-26(34)22-6-4-5-21(29-22)20-17-27-28-18-20;32-25(22-6-4-5-21(28-22)20-16-26-27-17-20)29-23-15-19(18-30-11-13-33-14-12-30)7-8-24(23)31-9-2-1-3-10-31;31-24(30-10-12-33-13-11-30)15-18-4-5-21(29-8-2-1-3-9-29)20(14-18)28-25(32)23-7-6-22(34-23)19-16-26-27-17-19;30-24(23-7-6-22(32-23)19-15-25-26-16-19)27-20-14-18(17-28-10-12-31-13-11-28)4-5-21(20)29-8-2-1-3-9-29;30-22(20-16-32-23(27-20)18-13-24-25-14-18)26-19-12-17(15-28-8-10-31-11-9-28)4-5-21(19)29-6-2-1-3-7-29/h4-8,15,17-18H,1-3,9-14,16H2,(H,27,28)(H,30,34);4-8,15-17H,1-3,9-14,18H2,(H,26,27)(H,29,32);4-7,14,16-17H,1-3,8-13,15H2,(H,26,27)(H,28,32);4-7,14-16H,1-3,8-13,17H2,(H,25,26)(H,27,30);4-5,12-14,16H,1-3,6-11,15H2,(H,24,25)(H,26,30) |
| InChIKey | AKJOOKWBTMKGMT-UHFFFAOYSA-N |
| XLogP | 17.33 |
| TPSA | 466.54 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2272.77 |
| LogP ≤ 5 | 17.33 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'} |
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