C128H144FN19O7 — CID 158660269
N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 158660269) has the molecular formula C128H144FN19O7 and a molecular weight of 2079.68 g/mol. Its IUPAC name is N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide.
| Compound Name | N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide |
|---|---|
| PubChem CID | 158660269 |
| Molecular Formula | C128H144FN19O7 |
| Molecular Weight | 2079.68 g/mol |
| Exact Mass | 2078.15 |
| IUPAC Name | N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide |
| SMILES | Cc1ccc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)cc1N(C)c1nccc(-c2ccc(F)cc2)n1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1 |
| InChI | InChI=1S/C33H39N5O2.C33H38N4O2.C32H36N4O2.C30H31FN6O/c1-22-9-12-38(18-22)30-14-27(20-37-11-10-31(34)24(3)19-37)13-29(16-30)36-33(39)28-8-5-23(2)32(15-28)40-21-26-7-6-25(4)35-17-26;1-23-11-14-37(19-23)30-16-27(21-36-13-12-31(34)25(3)20-36)15-29(18-30)35-33(38)28-10-9-24(2)32(17-28)39-22-26-7-5-4-6-8-26;1-22-11-14-36(19-22)28-16-25(21-35-13-12-30(33)24(3)20-35)15-27(18-28)34-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-7-8-23(29(38)33-25-5-4-6-26(20-25)37-17-15-35(2)16-18-37)19-28(21)36(3)30-32-14-13-27(34-30)22-9-11-24(31)12-10-22/h5-9,12-18,24,31H,10-11,19-21,34H2,1-4H3,(H,36,39);4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30H,12-13,20-21,33H2,1-3H3,(H,34,37);4-14,19-20H,15-18H2,1-3H3,(H,33,38) |
| InChIKey | ICQYWROVPVMROU-UHFFFAOYSA-N |
| XLogP | 23.56 |
| TPSA | 295.05 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2079.68 |
| LogP ≤ 5 | 23.56 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'} |
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