1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone

C18H16F3N3O3 — CID 170743574

IUPAC1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone
SMILESCOc1nc2nc(-c3c(C)cc(C(F)(F)F)cc3O)n(C)c2cc1C(C)=O
InChIInChI=1S/C18H16F3N3O3/c1-8-5-10(18(19,20)21)6-13(26)14(8)16-22-15-12(24(16)3)7-11(9(2)25)17(23-15)27-4/h5-7,26H,1-4H3
InChIKeyUYNCZKLVWDXIQJ-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone

1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone (PubChem CID 170743574) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone
PubChem CID170743574
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone
SMILESCOc1nc2nc(-c3c(C)cc(C(F)(F)F)cc3O)n(C)c2cc1C(C)=O
InChIInChI=1S/C18H16F3N3O3/c1-8-5-10(18(19,20)21)6-13(26)14(8)16-22-15-12(24(16)3)7-11(9(2)25)17(23-15)27-4/h5-7,26H,1-4H3
InChIKeyUYNCZKLVWDXIQJ-UHFFFAOYSA-N
XLogP3.88
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone?
The IUPAC name of 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone (CID 170743574) is 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone is COc1nc2nc(-c3c(C)cc(C(F)(F)F)cc3O)n(C)c2cc1C(C)=O.
What is the InChIKey of 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone?
The InChIKey is UYNCZKLVWDXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-8-5-10(18(19,20)21)6-13(26)14(8)16-22-15-12(24(16)3)7-11(9(2)25)17(23-15)27-4/h5-7,26H,1-4H3.
What are the key properties of 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone?
1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone has a molecular weight of 379.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 170743574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).