C129H132N26O9 — CID 157146656
2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-ylcyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide (PubChem CID 157146656) has the molecular formula C129H132N26O9 and a molecular weight of 2190.65 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-ylcyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide.
| Compound Name | 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-ylcyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide |
|---|---|
| PubChem CID | 157146656 |
| Molecular Formula | C129H132N26O9 |
| Molecular Weight | 2190.65 g/mol |
| Exact Mass | 2189.07 |
| IUPAC Name | 2-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]-2,3-dimethylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pentyl-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-pyridin-2-ylcyclohexane-1-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-pyridin-4-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide |
| SMILES | CCCCCc1ccnc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1.COc1cncc(-c2ccc(NC(=O)C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(-c5ccncc5)c4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccccn4)CCCCC3)cc2)cn1 |
| InChI | InChI=1S/C27H28N6O2.2C27H25N5O2.C26H31N5O2.C22H23N5O/c1-17(2)27(3,22-8-5-18(6-9-22)21-14-31-26(28)32-15-21)25(34)33-24-10-7-19(13-30-24)20-11-23(35-4)16-29-12-20;28-26-30-17-22(18-31-26)20-1-5-23(6-2-20)27(11-15-34-16-12-27)25(33)32-24-7-3-19(4-8-24)21-9-13-29-14-10-21;28-26-30-17-22(18-31-26)19-4-6-23(7-5-19)27(10-14-34-15-11-27)25(33)32-24-3-1-2-21(16-24)20-8-12-29-13-9-20;1-2-3-4-5-19-10-13-28-23(16-19)31-24(32)26(11-14-33-15-12-26)22-8-6-20(7-9-22)21-17-29-25(27)30-18-21;23-21-25-14-17(15-26-21)16-7-9-18(10-8-16)22(11-3-1-4-12-22)20(28)27-19-6-2-5-13-24-19/h5-17H,1-4H3,(H2,28,31,32)(H,30,33,34);1-10,13-14,17-18H,11-12,15-16H2,(H,32,33)(H2,28,30,31);1-9,12-13,16-18H,10-11,14-15H2,(H,32,33)(H2,28,30,31);6-10,13,16-18H,2-5,11-12,14-15H2,1H3,(H2,27,29,30)(H,28,31,32);2,5-10,13-15H,1,3-4,11-12H2,(H2,23,25,26)(H,24,27,28) |
| InChIKey | AKTYOISZUCNGDS-UHFFFAOYSA-N |
| XLogP | 22.19 |
| TPSA | 518.76 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.65 |
| LogP ≤ 5 | 22.19 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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