3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C23H20F3N3O2 — CID 142401390

IUPAC3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(O)ccc1-c1c(C(C)C)nc2cnc(-c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C23H20F3N3O2/c1-13(2)21-22(17-8-7-16(30)10-19(17)31-3)29-12-18(27-11-20(29)28-21)14-5-4-6-15(9-14)23(24,25)26/h4-13,30H,1-3H3
InChIKeyATVQGUVTBYHDTB-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.92
Rot. Bonds4

About 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 142401390) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID142401390
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(O)ccc1-c1c(C(C)C)nc2cnc(-c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C23H20F3N3O2/c1-13(2)21-22(17-8-7-16(30)10-19(17)31-3)29-12-18(27-11-20(29)28-21)14-5-4-6-15(9-14)23(24,25)26/h4-13,30H,1-3H3
InChIKeyATVQGUVTBYHDTB-UHFFFAOYSA-N
XLogP5.92
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 142401390) is 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1cc(O)ccc1-c1c(C(C)C)nc2cnc(-c3cccc(C(F)(F)F)c3)cn12.
What is the InChIKey of 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is ATVQGUVTBYHDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-13(2)21-22(17-8-7-16(30)10-19(17)31-3)29-12-18(27-11-20(29)28-21)14-5-4-6-15(9-14)23(24,25)26/h4-13,30H,1-3H3.
What are the key properties of 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 427.43 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 142401390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).