3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C16H12F3N7O — CID 53251127

IUPAC3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3cn(C)nn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C16H12F3N7O/c1-25-8-12(23-24-25)15-22-11-5-9(16(17,18)19)6-21-14(11)26(15)10-3-4-13(27-2)20-7-10/h3-8H,1-2H3
InChIKeyYYLWOBLEPCHIFH-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.64
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 53251127) has the molecular formula C16H12F3N7O and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID53251127
Molecular FormulaC16H12F3N7O
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3cn(C)nn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C16H12F3N7O/c1-25-8-12(23-24-25)15-22-11-5-9(16(17,18)19)6-21-14(11)26(15)10-3-4-13(27-2)20-7-10/h3-8H,1-2H3
InChIKeyYYLWOBLEPCHIFH-UHFFFAOYSA-N
XLogP2.64
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 70848003
2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 89027626
1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
CID 53251289
3-(5-methoxy-2-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121332377
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
[2-fluoro-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phosphane
CID 137468253
3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 10968150
3-methyl-2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600646
[1-(6-methoxy-3-pyridinyl)-3-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56599113
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 53251127) is 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is COc1ccc(-n2c(-c3cn(C)nn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is YYLWOBLEPCHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7O/c1-25-8-12(23-24-25)15-22-11-5-9(16(17,18)19)6-21-14(11)26(15)10-3-4-13(27-2)20-7-10/h3-8H,1-2H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 375.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53251127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).