C92H124N30O8 — CID 158028360
5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 158028360) has the molecular formula C92H124N30O8 and a molecular weight of 1778.21 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen.
| Compound Name | 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen |
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| PubChem CID | 158028360 |
| Molecular Formula | C92H124N30O8 |
| Molecular Weight | 1778.21 g/mol |
| Exact Mass | 1777.02 |
| IUPAC Name | 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen |
| SMILES | C=CCNC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.COc1ccc(CNC(=O)c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(C(=O)NCC(C)O)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCCc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCc4ccco4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C21H20N6O2.C21H20N6O.C18H16N6O2.C16H18N6O2.C16H16N6O.17H2/c1-12-3-8-15-16(9-12)27-20(26-15)18-19(22)23-11-17(25-18)21(28)24-10-13-4-6-14(29-2)7-5-13;1-13-7-8-15-16(11-13)27-20(26-15)18-19(22)24-12-17(25-18)21(28)23-10-9-14-5-3-2-4-6-14;1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11;1-8-3-4-10-11(5-8)22-15(21-10)13-14(17)18-7-12(20-13)16(24)19-6-9(2)23;1-3-6-18-16(23)12-8-19-14(17)13(20-12)15-21-10-5-4-9(2)7-11(10)22-15;;;;;;;;;;;;;;;;;/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,28)(H,26,27);2-8,11-12H,9-10H2,1H3,(H2,22,24)(H,23,28)(H,26,27);2-7,9H,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24);3-5,7,9,23H,6H2,1-2H3,(H2,17,18)(H,19,24)(H,21,22);3-5,7-8H,1,6H2,2H3,(H2,17,19)(H,18,23)(H,21,22);17*1H |
| InChIKey | FGWKRPBZXZNEAV-UHFFFAOYSA-N |
| XLogP | 15.20 |
| TPSA | 590.50 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 130 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1778.21 |
| LogP ≤ 5 | 15.20 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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