3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide

C67H53BBr2CuN21O7 — CID 160948918

IUPAC3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide
SMILESCc1ccc(-c2cnc(Br)c(N)n2)o1.Cc1ccc(-c2cnc(C#N)c(N)n2)o1.Cc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc(N)c(C#N)nc2Br)o1.OB(O)c1ccc2ncccc2c1.[C-]#N.[Cu+]
InChIInChI=1S/C19H13N5O.C10H7BrN4O.C10H8N4O.C9H8BNO2.C9H8BrN3O.C9H9N3O.CN.Cu/c1-11-4-7-16(25-11)18-17(23-15(10-20)19(21)24-18)13-5-6-14-12(9-13)3-2-8-22-14;1-5-2-3-7(16-5)8-9(11)14-6(4-12)10(13)15-8;1-6-2-3-9(15-6)8-5-13-7(4-11)10(12)14-8;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5-2-3-7(14-5)6-4-12-8(10)9(11)13-6;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;1-2;/h2-9H,1H3,(H2,21,24);2-3H,1H3,(H2,13,15);2-3,5H,1H3,(H2,12,14);1-6,12-13H;2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);;/q;;;;;;-1;+1
InChIKeyJAYSBKRKLHABAO-UHFFFAOYSA-N
MW1498.47 g/mol
LogP11.50
Rot. Bonds7

About 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide

3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide (PubChem CID 160948918) has the molecular formula C67H53BBr2CuN21O7 and a molecular weight of 1498.47 g/mol. Its IUPAC name is 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide.

Molecular Properties

Compound Name3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide
PubChem CID160948918
Molecular FormulaC67H53BBr2CuN21O7
Molecular Weight1498.47 g/mol
Exact Mass1495.22
IUPAC Name3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide
SMILESCc1ccc(-c2cnc(Br)c(N)n2)o1.Cc1ccc(-c2cnc(C#N)c(N)n2)o1.Cc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc(N)c(C#N)nc2Br)o1.OB(O)c1ccc2ncccc2c1.[C-]#N.[Cu+]
InChIInChI=1S/C19H13N5O.C10H7BrN4O.C10H8N4O.C9H8BNO2.C9H8BrN3O.C9H9N3O.CN.Cu/c1-11-4-7-16(25-11)18-17(23-15(10-20)19(21)24-18)13-5-6-14-12(9-13)3-2-8-22-14;1-5-2-3-7(16-5)8-9(11)14-6(4-12)10(13)15-8;1-6-2-3-9(15-6)8-5-13-7(4-11)10(12)14-8;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5-2-3-7(14-5)6-4-12-8(10)9(11)13-6;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;1-2;/h2-9H,1H3,(H2,21,24);2-3H,1H3,(H2,13,15);2-3,5H,1H3,(H2,12,14);1-6,12-13H;2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);;/q;;;;;;-1;+1
InChIKeyJAYSBKRKLHABAO-UHFFFAOYSA-N
XLogP11.50
TPSA486.10 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001498.47
LogP ≤ 511.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide with MolForge

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Related Compounds

3-Amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 158004215
3-Amino-6-[4-[2-(4-fluorophenyl)-2-oxoethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
CID 160127650
3-Amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137423942
3-Amino-5-[5-[6-[5-amino-6-cyano-3-(4,5-dimethyl-1,3-oxazol-2-yl)pyrazin-2-yl]quinolin-3-yl]-4-methyl-1,3-oxazol-2-yl]-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 156449995
3-Amino-5-(furan-2-yl)-6-pyridin-4-ylpyrazine-2-carbonitrile;3-bromo-6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine;3-bromo-6-pyridin-3-yl-5-pyridin-4-ylpyrazin-2-amine
CID 157239219
6-Bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 158293900
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
6-Bromo-5-(furan-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;bis(5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 160075235
3-amino-5-(2,5-dimethyltriazol-4-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(3-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrazol-4-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-2H-triazol-4-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 160359397
3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-[4-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroquinoxalin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(4-methoxyquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 161223681

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide?
The IUPAC name of 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide (CID 160948918) is 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide.
What is the SMILES notation for 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide?
The canonical SMILES for 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide is Cc1ccc(-c2cnc(Br)c(N)n2)o1.Cc1ccc(-c2cnc(C#N)c(N)n2)o1.Cc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc(N)c(C#N)nc2Br)o1.OB(O)c1ccc2ncccc2c1.[C-]#N.[Cu+].
What is the InChIKey of 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide?
The InChIKey is JAYSBKRKLHABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O.C10H7BrN4O.C10H8N4O.C9H8BNO2.C9H8BrN3O.C9H9N3O.CN.Cu/c1-11-4-7-16(25-11)18-17(23-15(10-20)19(21)24-18)13-5-6-14-12(9-13)3-2-8-22-14;1-5-2-3-7(16-5)8-9(11)14-6(4-12)10(13)15-8;1-6-2-3-9(15-6)8-5-13-7(4-11)10(12)14-8;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5-2-3-7(14-5)6-4-12-8(10)9(11)13-6;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;1-2;/h2-9H,1H3,(H2,21,24);2-3H,1H3,(H2,13,15);2-3,5H,1H3,(H2,12,14);1-6,12-13H;2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);;/q;;;;;;-1;+1.
What are the key properties of 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide?
3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide has a molecular weight of 1498.47 g/mol, XLogP of 11.50, 7 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-5-(5-methylfuran-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;copper(1+);6-(5-methylfuran-2-yl)pyrazin-2-amine;quinolin-6-ylboronic acid;cyanide is sourced from PubChem (CID 160948918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).