5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate

C38H38BrN13O4 — CID 159411570

IUPAC5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCC5(CC4)OCCO5)cnc3N)[nH]c2c1
InChIInChI=1S/C20H21N5O2.C12H10BrN5.C6H7N3O2/c1-12-2-3-14-15(10-12)25-19(24-14)17-18(21)22-11-16(23-17)13-4-6-20(7-5-13)26-8-9-27-20;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/h2-4,10-11H,5-9H2,1H3,(H2,21,22)(H,24,25);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
InChIKeyLOQHFSPGHSJJIK-UHFFFAOYSA-N
MW820.71 g/mol
LogP5.74
Rot. Bonds4

About 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate

5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate (PubChem CID 159411570) has the molecular formula C38H38BrN13O4 and a molecular weight of 820.71 g/mol. Its IUPAC name is 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
PubChem CID159411570
Molecular FormulaC38H38BrN13O4
Molecular Weight820.71 g/mol
Exact Mass819.24
IUPAC Name5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCC5(CC4)OCCO5)cnc3N)[nH]c2c1
InChIInChI=1S/C20H21N5O2.C12H10BrN5.C6H7N3O2/c1-12-2-3-14-15(10-12)25-19(24-14)17-18(21)22-11-16(23-17)13-4-6-20(7-5-13)26-8-9-27-20;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/h2-4,10-11H,5-9H2,1H3,(H2,21,22)(H,24,25);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
InChIKeyLOQHFSPGHSJJIK-UHFFFAOYSA-N
XLogP5.74
TPSA257.52 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.71
LogP ≤ 55.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]piperazin-1-yl]pyrazine-2-carboxylate
CID 69094270
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine
CID 157221452
3-amino-6-bromopyrazine-2-carboxylic acid;1-[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]ethanone;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate
CID 157818603
1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]pyridin-4-one;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
CID 158689978
5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate
CID 159197416
[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid;4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate;3-(6-methyl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-amine
CID 159815658
3-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]prop-2-ynylurea;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
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CID 160390229
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
3-amino-6-bromopyrazine-2-carboxylic acid;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide;5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate
CID 161648838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate (CID 159411570) is 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate is COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C4=CCC5(CC4)OCCO5)cnc3N)[nH]c2c1.
What is the InChIKey of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
The InChIKey is LOQHFSPGHSJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C12H10BrN5.C6H7N3O2/c1-12-2-3-14-15(10-12)25-19(24-14)17-18(21)22-11-16(23-17)13-4-6-20(7-5-13)26-8-9-27-20;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/h2-4,10-11H,5-9H2,1H3,(H2,21,22)(H,24,25);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9).
What are the key properties of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?
5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 820.71 g/mol, XLogP of 5.74, 4 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 159411570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).