5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate

C36H33BrN14O3 — CID 161147553

IUPAC5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(-c4ccc(=O)n(C)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1
InChIInChI=1S/C18H16N6O.C12H10BrN5.C6H7N3O2/c1-10-3-5-12-13(7-10)23-18(22-12)16-17(19)20-8-14(21-16)11-4-6-15(25)24(2)9-11;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h3-9H,1-2H3,(H2,19,20)(H,22,23);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
InChIKeyUOGHQEJAIGOHGJ-UHFFFAOYSA-N
MW789.66 g/mol
LogP4.79
Rot. Bonds4

About 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate

5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate (PubChem CID 161147553) has the molecular formula C36H33BrN14O3 and a molecular weight of 789.66 g/mol. Its IUPAC name is 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
PubChem CID161147553
Molecular FormulaC36H33BrN14O3
Molecular Weight789.66 g/mol
Exact Mass788.20
IUPAC Name5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(-c4ccc(=O)n(C)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1
InChIInChI=1S/C18H16N6O.C12H10BrN5.C6H7N3O2/c1-10-3-5-12-13(7-10)23-18(22-12)16-17(19)20-8-14(21-16)11-4-6-15(25)24(2)9-11;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h3-9H,1-2H3,(H2,19,20)(H,22,23);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
InChIKeyUOGHQEJAIGOHGJ-UHFFFAOYSA-N
XLogP4.79
TPSA261.06 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.66
LogP ≤ 54.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate (CID 161147553) is 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate is COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(-c4ccc(=O)n(C)c4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.
What is the InChIKey of 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
The InChIKey is UOGHQEJAIGOHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C12H10BrN5.C6H7N3O2/c1-10-3-5-12-13(7-10)23-18(22-12)16-17(19)20-8-14(21-16)11-4-6-15(25)24(2)9-11;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h3-9H,1-2H3,(H2,19,20)(H,22,23);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9).
What are the key properties of 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 789.66 g/mol, XLogP of 4.79, 4 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 161147553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).