C125H115N35O10 — CID 159753335
2-ethyl-N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methylpyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 159753335) has the molecular formula C125H115N35O10 and a molecular weight of 2267.53 g/mol. Its IUPAC name is 2-ethyl-N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methylpyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide.
| Compound Name | 2-ethyl-N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methylpyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide |
|---|---|
| PubChem CID | 159753335 |
| Molecular Formula | C125H115N35O10 |
| Molecular Weight | 2267.53 g/mol |
| Exact Mass | 2265.96 |
| IUPAC Name | 2-ethyl-N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methylpyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-hydroxy-3-(1H-pyrazol-5-yliminomethyl)-1H-indol-5-yl]methyl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide |
| SMILES | CCn1nc(C)cc1C(=O)Nc1ccc(Cc2ccc3[nH]c(O)c(/C=N/c4cc(C)[nH]n4)c3c2)cc1.Cc1cc(/N=C/c2c(O)[nH]c3ccc(Cc4ccc(NC(=O)c5cc(C)[nH]n5)cc4)cc23)n[nH]1.Cc1cc(/N=C/c2c(O)[nH]c3ccc(Cc4ccc(NC(=O)c5cnn(C)c5)cc4)cc23)n[nH]1.Cc1cc(C(=O)Nc2ccc(Cc3ccc4[nH]c(O)c(C=Nc5ccn[nH]5)c4c3)cc2)n[nH]1.Cn1cc(C(=O)Nc2ccc(Cc3ccc4[nH]c(O)c(C=Nc5ccn[nH]5)c4c3)cc2)cn1 |
| InChI | InChI=1S/C27H27N7O2.2C25H23N7O2.2C24H21N7O2/c1-4-34-24(11-17(3)33-34)27(36)29-20-8-5-18(6-9-20)13-19-7-10-23-21(14-19)22(26(35)30-23)15-28-25-12-16(2)31-32-25;1-15-9-23(31-30-15)26-13-21-20-11-17(5-8-22(20)29-25(21)34)10-16-3-6-19(7-4-16)28-24(33)18-12-27-32(2)14-18;1-14-9-22(31-29-14)25(34)27-18-6-3-16(4-7-18)11-17-5-8-21-19(12-17)20(24(33)28-21)13-26-23-10-15(2)30-32-23;1-31-14-17(12-27-31)23(32)28-18-5-2-15(3-6-18)10-16-4-7-21-19(11-16)20(24(33)29-21)13-25-22-8-9-26-30-22;1-14-10-21(30-29-14)24(33)27-17-5-2-15(3-6-17)11-16-4-7-20-18(12-16)19(23(32)28-20)13-25-22-8-9-26-31-22/h5-12,14-15,30,35H,4,13H2,1-3H3,(H,29,36)(H,31,32);3-9,11-14,29,34H,10H2,1-2H3,(H,28,33)(H,30,31);3-10,12-13,28,33H,11H2,1-2H3,(H,27,34)(H,29,31)(H,30,32);2-9,11-14,29,33H,10H2,1H3,(H,26,30)(H,28,32);2-10,12-13,28,32H,11H2,1H3,(H,26,31)(H,27,33)(H,29,30)/b28-15+;2*26-13+;; |
| InChIKey | YBSXBYMBHQSDAN-QDFROWRTSA-N |
| XLogP | 21.93 |
| TPSA | 641.62 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2267.53 |
| LogP ≤ 5 | 21.93 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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