5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine

C50H46B2BrCl3N16O8 — CID 158037816

IUPAC5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc[nH]c3c2)o1.Cc1ccc(-c2nc(N)cnc2Br)o1.Cc1ccc(B(O)O)o1.Nc1cncc(Cl)n1.OB(O)c1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C16H12ClN5O.C9H8BrN3O.C9H9N3O.C7H6BClN2O2.C5H7BO3.C4H4ClN3/c1-8-2-3-12(23-8)16-14(19-6-13(18)22-16)9-4-10(17)15-11(5-9)20-7-21-15;1-5-2-3-6(14-5)8-9(10)12-4-7(11)13-8;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;9-5-1-4(8(12)13)2-6-7(5)11-3-10-6;1-4-2-3-5(9-4)6(7)8;5-3-1-7-2-4(6)8-3/h2-7H,1H3,(H2,18,22)(H,20,21);2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);1-3,12-13H,(H,10,11);2-3,7-8H,1H3;1-2H,(H2,6,8)
InChIKeyFHZBDYLEFIYKAD-UHFFFAOYSA-N
MW1206.91 g/mol
LogP7.72
Rot. Bonds6

About 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine

5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine (PubChem CID 158037816) has the molecular formula C50H46B2BrCl3N16O8 and a molecular weight of 1206.91 g/mol. Its IUPAC name is 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine
PubChem CID158037816
Molecular FormulaC50H46B2BrCl3N16O8
Molecular Weight1206.91 g/mol
Exact Mass1204.21
IUPAC Name5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc[nH]c3c2)o1.Cc1ccc(-c2nc(N)cnc2Br)o1.Cc1ccc(B(O)O)o1.Nc1cncc(Cl)n1.OB(O)c1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C16H12ClN5O.C9H8BrN3O.C9H9N3O.C7H6BClN2O2.C5H7BO3.C4H4ClN3/c1-8-2-3-12(23-8)16-14(19-6-13(18)22-16)9-4-10(17)15-11(5-9)20-7-21-15;1-5-2-3-6(14-5)8-9(10)12-4-7(11)13-8;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;9-5-1-4(8(12)13)2-6-7(5)11-3-10-6;1-4-2-3-5(9-4)6(7)8;5-3-1-7-2-4(6)8-3/h2-7H,1H3,(H2,18,22)(H,20,21);2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);1-3,12-13H,(H,10,11);2-3,7-8H,1H3;1-2H,(H2,6,8)
InChIKeyFHZBDYLEFIYKAD-UHFFFAOYSA-N
XLogP7.72
TPSA398.04 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001206.91
LogP ≤ 57.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
CID 137423781
5-Bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid
CID 159293171
4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-(3H-benzimidazol-5-yl)-6-phenylpyrazin-2-amine;3-bromo-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indol-5-yl)-6-phenylpyrazin-2-amine;5-(2-methyl-3H-benzimidazol-5-yl)-6-phenylpyrazin-2-amine
CID 159478924
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-bromo-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
CID 160999004
3-[3-(3H-benzimidazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile;3-[3-(3H-benzimidazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(7-chloro-3H-benzimidazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile;2-[3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]-1-benzofuran-7-carbonitrile
CID 164128365

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine (CID 158037816) is 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine is Cc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc[nH]c3c2)o1.Cc1ccc(-c2nc(N)cnc2Br)o1.Cc1ccc(B(O)O)o1.Nc1cncc(Cl)n1.OB(O)c1cc(Cl)c2nc[nH]c2c1.
What is the InChIKey of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine?
The InChIKey is FHZBDYLEFIYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O.C9H8BrN3O.C9H9N3O.C7H6BClN2O2.C5H7BO3.C4H4ClN3/c1-8-2-3-12(23-8)16-14(19-6-13(18)22-16)9-4-10(17)15-11(5-9)20-7-21-15;1-5-2-3-6(14-5)8-9(10)12-4-7(11)13-8;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;9-5-1-4(8(12)13)2-6-7(5)11-3-10-6;1-4-2-3-5(9-4)6(7)8;5-3-1-7-2-4(6)8-3/h2-7H,1H3,(H2,18,22)(H,20,21);2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);1-3,12-13H,(H,10,11);2-3,7-8H,1H3;1-2H,(H2,6,8).
What are the key properties of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine?
5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine has a molecular weight of 1206.91 g/mol, XLogP of 7.72, 6 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;(7-chloro-3H-benzimidazol-5-yl)boronic acid;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 158037816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).