[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid

C23H18F6N3O3P — CID 159851639

IUPAC[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
SMILESCC(C)c1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(OP(C)(=O)O)cc1F
InChIInChI=1S/C23H18F6N3O3P/c1-11(2)21-22(20-16(25)7-13(8-17(20)26)35-36(3,33)34)32-10-18(30-9-19(32)31-21)12-4-5-15(24)14(6-12)23(27,28)29/h4-11H,1-3H3,(H,33,34)
InChIKeyBAHXULWRTBTRGK-UHFFFAOYSA-N
MW529.38 g/mol
LogP6.82
Rot. Bonds5

About [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid

[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid (PubChem CID 159851639) has the molecular formula C23H18F6N3O3P and a molecular weight of 529.38 g/mol. Its IUPAC name is [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
PubChem CID159851639
Molecular FormulaC23H18F6N3O3P
Molecular Weight529.38 g/mol
Exact Mass529.10
IUPAC Name[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
SMILESCC(C)c1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(OP(C)(=O)O)cc1F
InChIInChI=1S/C23H18F6N3O3P/c1-11(2)21-22(20-16(25)7-13(8-17(20)26)35-36(3,33)34)32-10-18(30-9-19(32)31-21)12-4-5-15(24)14(6-12)23(27,28)29/h4-11H,1-3H3,(H,33,34)
InChIKeyBAHXULWRTBTRGK-UHFFFAOYSA-N
XLogP6.82
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.38
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?
The IUPAC name of [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid (CID 159851639) is [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid.
What is the SMILES notation for [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?
The canonical SMILES for [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid is CC(C)c1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(OP(C)(=O)O)cc1F.
What is the InChIKey of [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?
The InChIKey is BAHXULWRTBTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N3O3P/c1-11(2)21-22(20-16(25)7-13(8-17(20)26)35-36(3,33)34)32-10-18(30-9-19(32)31-21)12-4-5-15(24)14(6-12)23(27,28)29/h4-11H,1-3H3,(H,33,34).
What are the key properties of [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid?
[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid has a molecular weight of 529.38 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid is sourced from PubChem (CID 159851639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).