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

C23H19F4N3O2 — CID 142401443

IUPAC5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2c(C(C)C)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)cc1O
InChIInChI=1S/C23H19F4N3O2/c1-12(2)21-22(14-5-7-19(32-3)18(31)9-14)30-11-17(28-10-20(30)29-21)13-4-6-16(24)15(8-13)23(25,26)27/h4-12,31H,1-3H3
InChIKeyHYAIICVXSAENBL-UHFFFAOYSA-N
MW445.42 g/mol
LogP6.06
Rot. Bonds4

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

5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol (PubChem CID 142401443) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
PubChem CID142401443
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Name5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2c(C(C)C)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)cc1O
InChIInChI=1S/C23H19F4N3O2/c1-12(2)21-22(14-5-7-19(32-3)18(31)9-14)30-11-17(28-10-20(30)29-21)13-4-6-16(24)15(8-13)23(25,26)27/h4-12,31H,1-3H3
InChIKeyHYAIICVXSAENBL-UHFFFAOYSA-N
XLogP6.06
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
The IUPAC name of 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol (CID 142401443) is 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
The canonical SMILES for 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol is COc1ccc(-c2c(C(C)C)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)cc1O.
What is the InChIKey of 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
The InChIKey is HYAIICVXSAENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c1-12(2)21-22(14-5-7-19(32-3)18(31)9-14)30-11-17(28-10-20(30)29-21)13-4-6-16(24)15(8-13)23(25,26)27/h4-12,31H,1-3H3.
What are the key properties of 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol?
5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol has a molecular weight of 445.42 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 142401443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).