C88H134N32O8 — CID 159647198
5-amino-N-(2-amino-2-oxoethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(cyclopentylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide;[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 159647198) has the molecular formula C88H134N32O8 and a molecular weight of 1768.26 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(cyclopentylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide;[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide;molecular hydrogen.
| Compound Name | 5-amino-N-(2-amino-2-oxoethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(cyclopentylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide;[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide;molecular hydrogen |
|---|---|
| PubChem CID | 159647198 |
| Molecular Formula | C88H134N32O8 |
| Molecular Weight | 1768.26 g/mol |
| Exact Mass | 1767.11 |
| IUPAC Name | 5-amino-N-(2-amino-2-oxoethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(cyclopentylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide;[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-morpholin-4-ylmethanone;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide;molecular hydrogen |
| SMILES | Cc1ccc2nc(-c3nc(C(=O)N4CCOCC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCC(N)=O)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCC4CCCC4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCC4CCCO4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCCN4CCCC4)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].[H][H] |
| InChI | InChI=1S/C19H23N7O.C19H22N6O.C18H20N6O2.C17H18N6O2.C15H15N7O2.18H2/c1-12-4-5-13-14(10-12)25-18(24-13)16-17(20)22-11-15(23-16)19(27)21-6-9-26-7-2-3-8-26;1-11-6-7-13-14(8-11)25-18(24-13)16-17(20)21-10-15(23-16)19(26)22-9-12-4-2-3-5-12;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;1-10-2-3-11-12(8-10)22-16(21-11)14-15(18)19-9-13(20-14)17(24)23-4-6-25-7-5-23;1-7-2-3-8-9(4-7)22-14(21-8)12-13(17)18-5-10(20-12)15(24)19-6-11(16)23;;;;;;;;;;;;;;;;;;/h4-5,10-11H,2-3,6-9H2,1H3,(H2,20,22)(H,21,27)(H,24,25);6-8,10,12H,2-5,9H2,1H3,(H2,20,21)(H,22,26)(H,24,25);4-5,7,9,11H,2-3,6,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24);2-3,8-9H,4-7H2,1H3,(H2,18,19)(H,21,22);2-5H,6H2,1H3,(H2,16,23)(H2,17,18)(H,19,24)(H,21,22);18*1H |
| InChIKey | MRCJUPXBFBDBGU-UHFFFAOYSA-N |
| XLogP | 12.32 |
| TPSA | 603.90 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1768.26 |
| LogP ≤ 5 | 12.32 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 29 |