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

C21H16F3N3O2 — CID 146562266

IUPAC2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(-c2c(C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)ccc1O
InChIInChI=1S/C21H16F3N3O2/c1-12-20(14-6-7-17(28)18(9-14)29-2)27-11-16(25-10-19(27)26-12)13-4-3-5-15(8-13)21(22,23)24/h3-11,28H,1-2H3
InChIKeyNTDIMAKXVUDMAJ-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.10
Rot. Bonds3

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

2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 146562266) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID146562266
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(-c2c(C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)ccc1O
InChIInChI=1S/C21H16F3N3O2/c1-12-20(14-6-7-17(28)18(9-14)29-2)27-11-16(25-10-19(27)26-12)13-4-3-5-15(8-13)21(22,23)24/h3-11,28H,1-2H3
InChIKeyNTDIMAKXVUDMAJ-UHFFFAOYSA-N
XLogP5.10
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 146562266) is 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1cc(-c2c(C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)ccc1O.
What is the InChIKey of 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is NTDIMAKXVUDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-12-20(14-6-7-17(28)18(9-14)29-2)27-11-16(25-10-19(27)26-12)13-4-3-5-15(8-13)21(22,23)24/h3-11,28H,1-2H3.
What are the key properties of 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 399.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 146562266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).