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

C14H16F3N3O — CID 104622389

IUPAC5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3CCCCC3C(F)(F)F)nc2n1
InChIInChI=1S/C14H16F3N3O/c1-21-11-7-6-10-13(19-11)20-12(18-10)8-4-2-3-5-9(8)14(15,16)17/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyXWBADJOWBCFQDU-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.80
Rot. Bonds2

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

5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 104622389) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
PubChem CID104622389
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3CCCCC3C(F)(F)F)nc2n1
InChIInChI=1S/C14H16F3N3O/c1-21-11-7-6-10-13(19-11)20-12(18-10)8-4-2-3-5-9(8)14(15,16)17/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyXWBADJOWBCFQDU-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622377
5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 65483260
5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 65484248
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine
CID 66235780
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391726
2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816213
2-(2,3-dihydro-1H-indol-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65485005
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentan-1-amine
CID 79815882
5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 104623005
4-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 114512460
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
CID 104622206

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine (CID 104622389) is 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(C3CCCCC3C(F)(F)F)nc2n1.
What is the InChIKey of 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is XWBADJOWBCFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-21-11-7-6-10-13(19-11)20-12(18-10)8-4-2-3-5-9(8)14(15,16)17/h6-9H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 299.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 104622389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).