C124H170FN25O11 — CID 157059320
N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 157059320) has the molecular formula C124H170FN25O11 and a molecular weight of 2205.89 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine.
| Compound Name | N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine |
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| PubChem CID | 157059320 |
| Molecular Formula | C124H170FN25O11 |
| Molecular Weight | 2205.89 g/mol |
| Exact Mass | 2204.35 |
| IUPAC Name | N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine |
| SMILES | CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCOCC3)C(OC)C2)n1.[H]/N=C(\C)NC(=O)c1cc2cc(F)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\C)NC(=O)c1cc2ccccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\CC)NC(=O)c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@H](OC)C1.[H]/N=C(\NC(C)=O)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1 |
| InChI | InChI=1S/C26H37N5O2.C25H33N5O3.C25H35N5O2.C24H32FN5O2.C24H33N5O2/c1-4-24(27)30-26(32)20-15-18-14-17(2)10-11-21(18)29-25(20)31-13-12-22(23(16-31)33-3)28-19-8-6-5-7-9-19;1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18;1-16-8-9-22-18(12-16)13-21(24(26)27-17(2)32)25(29-22)30-11-10-23(19(14-30)15-31)28-20-6-4-3-5-7-20;1-15(26)27-24(31)19-13-16-12-17(25)8-9-20(16)29-23(19)30-11-10-21(22(14-30)32-2)28-18-6-4-3-5-7-18;1-16(25)26-24(30)19-14-17-8-6-7-11-20(17)28-23(19)29-13-12-21(22(15-29)31-2)27-18-9-4-3-5-10-18/h10-11,14-15,19,22-23,28H,4-9,12-13,16H2,1-3H3,(H2,27,30,32);5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3;8-9,12-13,19-20,23,28,31H,3-7,10-11,14-15H2,1-2H3,(H2,26,27,32);8-9,12-13,18,21-22,28H,3-7,10-11,14H2,1-2H3,(H2,26,27,31);6-8,11,14,18,21-22,27H,3-5,9-10,12-13,15H2,1-2H3,(H2,25,26,30)/t22-,23+;;;2*21-,22+/m0..00/s1 |
| InChIKey | ABDFBEGLOJASDA-XWKXRCOBSA-N |
| XLogP | 17.90 |
| TPSA | 457.90 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2205.89 |
| LogP ≤ 5 | 17.90 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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