[2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid

C24H23F3N3O4P — CID 158320547

About [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid

[2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid (PubChem CID 158320547) has the molecular formula C24H23F3N3O4P and a molecular weight of 505.43 g/mol. Its IUPAC name is [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid.

Molecular Properties

• Compound Name: [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
• PubChem CID: 158320547
• Molecular Formula: C24H23F3N3O4P
• Molecular Weight: 505.43 g/mol
• Exact Mass: 505.14
• IUPAC Name: [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
• SMILES: COc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1OP(C)(=O)O
• InChI: InChI=1S/C24H23F3N3O4P/c1-14(2)22-23(16-8-9-19(33-3)20(11-16)34-35(4,31)32)30-13-18(28-12-21(30)29-22)15-6-5-7-17(10-15)24(25,26)27/h5-14H,1-4H3,(H,31,32)
• InChIKey: MEKRRYFFMRYDLD-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.43
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?

The IUPAC name of [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid (CID 158320547) is [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid.

What is the SMILES notation for [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?

The canonical SMILES for [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid is COc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1OP(C)(=O)O.

What is the InChIKey of [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?

The InChIKey is MEKRRYFFMRYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N3O4P/c1-14(2)22-23(16-8-9-19(33-3)20(11-16)34-35(4,31)32)30-13-18(28-12-21(30)29-22)15-6-5-7-17(10-15)24(25,26)27/h5-14H,1-4H3,(H,31,32).

What are the key properties of [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?

[2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid has a molecular weight of 505.43 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid is sourced from PubChem (CID 158320547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).