5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine

C62H39Br4Cl4F6N19 — CID 161042873

About 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine

5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine (PubChem CID 161042873) has the molecular formula C62H39Br4Cl4F6N19 and a molecular weight of 1625.54 g/mol. Its IUPAC name is 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
• PubChem CID: 161042873
• Molecular Formula: C62H39Br4Cl4F6N19
• Molecular Weight: 1625.54 g/mol
• Exact Mass: 1618.90
• IUPAC Name: 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
• SMILES: Clc1ccccc1-c1cc2nc(Br)cnc2[nH]1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2n1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1C#Cc1ccccc1Cl
• InChI: InChI=1S/2C17H11ClF3N5.2C12H7BrClN3.C4H3Br2N3/c2*1-26-14(7-15(25-26)17(19,20)21)13-8-22-16-12(23-13)6-11(24-16)9-4-2-3-5-10(9)18;13-11-6-15-12-10(16-11)5-9(17-12)7-3-1-2-4-8(7)14;13-11-7-16-12(15)10(17-11)6-5-8-3-1-2-4-9(8)14;5-2-1-8-4(7)3(6)9-2/h2*2-8H,1H3,(H,22,24);1-6H,(H,15,17);1-4,7H,(H2,15,16);1H,(H2,7,8)
• InChIKey: UBCMHURIEWLLIM-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 263.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.54
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?

The IUPAC name of 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine (CID 161042873) is 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine.

What is the SMILES notation for 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?

The canonical SMILES for 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine is Clc1ccccc1-c1cc2nc(Br)cnc2[nH]1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccccc3Cl)cc2n1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1C#Cc1ccccc1Cl.

What is the InChIKey of 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?

The InChIKey is UBCMHURIEWLLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11ClF3N5.2C12H7BrClN3.C4H3Br2N3/c2*1-26-14(7-15(25-26)17(19,20)21)13-8-22-16-12(23-13)6-11(24-16)9-4-2-3-5-10(9)18;13-11-6-15-12-10(16-11)5-9(17-12)7-3-1-2-4-8(7)14;13-11-7-16-12(15)10(17-11)6-5-8-3-1-2-4-9(8)14;5-2-1-8-4(7)3(6)9-2/h2*2-8H,1H3,(H,22,24);1-6H,(H,15,17);1-4,7H,(H2,15,16);1H,(H2,7,8).

What are the key properties of 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine?

5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine has a molecular weight of 1625.54 g/mol, XLogP of 17.89, 5 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine is sourced from PubChem (CID 161042873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).