6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C17H16F3N3O — CID 159019861

IUPAC6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1nc2nc(C(F)(F)F)[nH]c2cc1Cc1ccc(C)cc1C
InChIInChI=1S/C17H16F3N3O/c1-9-4-5-11(10(2)6-9)7-12-8-13-14(22-15(12)24-3)23-16(21-13)17(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22,23)
InChIKeyJTNYPRAWMHAODC-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.19
Rot. Bonds3

About 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 159019861) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID159019861
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1nc2nc(C(F)(F)F)[nH]c2cc1Cc1ccc(C)cc1C
InChIInChI=1S/C17H16F3N3O/c1-9-4-5-11(10(2)6-9)7-12-8-13-14(22-15(12)24-3)23-16(21-13)17(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22,23)
InChIKeyJTNYPRAWMHAODC-UHFFFAOYSA-N
XLogP4.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 159019861) is 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is COc1nc2nc(C(F)(F)F)[nH]c2cc1Cc1ccc(C)cc1C.
What is the InChIKey of 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is JTNYPRAWMHAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-9-4-5-11(10(2)6-9)7-12-8-13-14(22-15(12)24-3)23-16(21-13)17(18,19)20/h4-6,8H,7H2,1-3H3,(H,21,22,23).
What are the key properties of 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 335.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylphenyl)methyl]-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 159019861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).