1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol

C26H16Br2ClFN6O2 — CID 91469137

About 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol

1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol (PubChem CID 91469137) has the molecular formula C26H16Br2ClFN6O2 and a molecular weight of 658.71 g/mol. Its IUPAC name is 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol
• PubChem CID: 91469137
• Molecular Formula: C26H16Br2ClFN6O2
• Molecular Weight: 658.71 g/mol
• Exact Mass: 655.94
• IUPAC Name: 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol
• SMILES: OC(c1c(-c2ccc(F)cc2)nc2cnc(Br)cn12)C(O)c1c(-c2ccc(Cl)cc2)nc2cnc(Br)cn12
• InChI: InChI=1S/C26H16Br2ClFN6O2/c27-17-11-35-19(9-31-17)33-21(13-1-5-15(29)6-2-13)23(35)25(37)26(38)24-22(14-3-7-16(30)8-4-14)34-20-10-32-18(28)12-36(20)24/h1-12,25-26,37-38H
• InChIKey: IWPNVLOGTAGZPL-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 100.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.71
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol?

The IUPAC name of 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol (CID 91469137) is 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol.

What is the SMILES notation for 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol?

The canonical SMILES for 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol is OC(c1c(-c2ccc(F)cc2)nc2cnc(Br)cn12)C(O)c1c(-c2ccc(Cl)cc2)nc2cnc(Br)cn12.

What is the InChIKey of 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol?

The InChIKey is IWPNVLOGTAGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br2ClFN6O2/c27-17-11-35-19(9-31-17)33-21(13-1-5-15(29)6-2-13)23(35)25(37)26(38)24-22(14-3-7-16(30)8-4-14)34-20-10-32-18(28)12-36(20)24/h1-12,25-26,37-38H.

What are the key properties of 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol?

1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol has a molecular weight of 658.71 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]-2-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]ethane-1,2-diol is sourced from PubChem (CID 91469137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).