1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine

C53H53Br2N13O2 — CID 159279171

About 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine

1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine (PubChem CID 159279171) has the molecular formula C53H53Br2N13O2 and a molecular weight of 1063.90 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

• Compound Name: 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
• PubChem CID: 159279171
• Molecular Formula: C53H53Br2N13O2
• Molecular Weight: 1063.90 g/mol
• Exact Mass: 1061.28
• IUPAC Name: 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
• SMILES: CC(=O)c1cncc(Br)c1.CC(N)c1cncc(-c2cnn(C)c2)c1.CC(N)c1cncc(Br)c1.Cc1coc2ccc(-c3cc(NC(C)c4cncc(-c5cnn(C)c5)c4)cc4nccnc34)cc12
• InChI: InChI=1S/C28H24N6O.C11H14N4.C7H9BrN2.C7H6BrNO/c1-17-16-35-27-5-4-19(9-24(17)27)25-10-23(11-26-28(25)31-7-6-30-26)33-18(2)20-8-21(13-29-12-20)22-14-32-34(3)15-22;1-8(12)9-3-10(5-13-4-9)11-6-14-15(2)7-11;1-5(9)6-2-7(8)4-10-3-6;1-5(10)6-2-7(8)4-9-3-6/h4-16,18,33H,1-3H3;3-8H,12H2,1-2H3;2-5H,9H2,1H3;2-4H,1H3
• InChIKey: KYRQDWUYCXVFOW-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 207.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.90
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?

The IUPAC name of 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine (CID 159279171) is 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine.

What is the SMILES notation for 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?

The canonical SMILES for 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine is CC(=O)c1cncc(Br)c1.CC(N)c1cncc(-c2cnn(C)c2)c1.CC(N)c1cncc(Br)c1.Cc1coc2ccc(-c3cc(NC(C)c4cncc(-c5cnn(C)c5)c4)cc4nccnc34)cc12.

What is the InChIKey of 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?

The InChIKey is KYRQDWUYCXVFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O.C11H14N4.C7H9BrN2.C7H6BrNO/c1-17-16-35-27-5-4-19(9-24(17)27)25-10-23(11-26-28(25)31-7-6-30-26)33-18(2)20-8-21(13-29-12-20)22-14-32-34(3)15-22;1-8(12)9-3-10(5-13-4-9)11-6-14-15(2)7-11;1-5(9)6-2-7(8)4-10-3-6;1-5(10)6-2-7(8)4-9-3-6/h4-16,18,33H,1-3H3;3-8H,12H2,1-2H3;2-5H,9H2,1H3;2-4H,1H3.

What are the key properties of 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?

1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 1063.90 g/mol, XLogP of 11.73, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 159279171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).