4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol

C24H20F3N3O — CID 137301405

IUPAC4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
SMILESCC(C)c1cc(-c2cn3c(-c4c(F)cc(O)cc4F)c(C4CC4)nc3cn2)ccc1F
InChIInChI=1S/C24H20F3N3O/c1-12(2)16-7-14(5-6-17(16)25)20-11-30-21(10-28-20)29-23(13-3-4-13)24(30)22-18(26)8-15(31)9-19(22)27/h5-13,31H,3-4H2,1-2H3
InChIKeyXPRZITWAQRBCAV-UHFFFAOYSA-N
MW423.44 g/mol
LogP6.19
Rot. Bonds4

About 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol

4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol (PubChem CID 137301405) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
PubChem CID137301405
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
SMILESCC(C)c1cc(-c2cn3c(-c4c(F)cc(O)cc4F)c(C4CC4)nc3cn2)ccc1F
InChIInChI=1S/C24H20F3N3O/c1-12(2)16-7-14(5-6-17(16)25)20-11-30-21(10-28-20)29-23(13-3-4-13)24(30)22-18(26)8-15(31)9-19(22)27/h5-13,31H,3-4H2,1-2H3
InChIKeyXPRZITWAQRBCAV-UHFFFAOYSA-N
XLogP6.19
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
The IUPAC name of 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol (CID 137301405) is 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol.
What is the SMILES notation for 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
The canonical SMILES for 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol is CC(C)c1cc(-c2cn3c(-c4c(F)cc(O)cc4F)c(C4CC4)nc3cn2)ccc1F.
What is the InChIKey of 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
The InChIKey is XPRZITWAQRBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-12(2)16-7-14(5-6-17(16)25)20-11-30-21(10-28-20)29-23(13-3-4-13)24(30)22-18(26)8-15(31)9-19(22)27/h5-13,31H,3-4H2,1-2H3.
What are the key properties of 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol has a molecular weight of 423.44 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol is sourced from PubChem (CID 137301405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).