6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine

C16H17N3O2 — CID 72902515

IUPAC6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine
SMILESCCc1nc2ncc(-c3c(OC)cccc3OC)cc2[nH]1
InChIInChI=1S/C16H17N3O2/c1-4-14-18-11-8-10(9-17-16(11)19-14)15-12(20-2)6-5-7-13(15)21-3/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyUVKATBQJDMNSHB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.20
Rot. Bonds4

About 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine

6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine (PubChem CID 72902515) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine
PubChem CID72902515
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine
SMILESCCc1nc2ncc(-c3c(OC)cccc3OC)cc2[nH]1
InChIInChI=1S/C16H17N3O2/c1-4-14-18-11-8-10(9-17-16(11)19-14)15-12(20-2)6-5-7-13(15)21-3/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyUVKATBQJDMNSHB-UHFFFAOYSA-N
XLogP3.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine (CID 72902515) is 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine is CCc1nc2ncc(-c3c(OC)cccc3OC)cc2[nH]1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is UVKATBQJDMNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-14-18-11-8-10(9-17-16(11)19-14)15-12(20-2)6-5-7-13(15)21-3/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine?
6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 283.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-2-ethyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 72902515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).