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

C23H20F3N3O2 — CID 135222832

IUPAC2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1O
InChIInChI=1S/C23H20F3N3O2/c1-13(2)21-22(15-7-8-19(31-3)18(30)10-15)29-12-17(27-11-20(29)28-21)14-5-4-6-16(9-14)23(24,25)26/h4-13,30H,1-3H3
InChIKeyRGFMZQHJBNRGQE-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.92
Rot. Bonds4

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

2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 135222832) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID135222832
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1O
InChIInChI=1S/C23H20F3N3O2/c1-13(2)21-22(15-7-8-19(31-3)18(30)10-15)29-12-17(27-11-20(29)28-21)14-5-4-6-16(9-14)23(24,25)26/h4-13,30H,1-3H3
InChIKeyRGFMZQHJBNRGQE-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 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 135222832) is 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1O.
What is the InChIKey of 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is RGFMZQHJBNRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-13(2)21-22(15-7-8-19(31-3)18(30)10-15)29-12-17(27-11-20(29)28-21)14-5-4-6-16(9-14)23(24,25)26/h4-13,30H,1-3H3.
What are the key properties of 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
2-methoxy-5-[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 2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 135222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).