2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol

C16H17N3O — CID 170038842

IUPAC2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(-c2ccnc3c2nc(C)n3C)c1
InChIInChI=1S/C16H17N3O/c1-9-7-10(2)15(20)13(8-9)12-5-6-17-16-14(12)18-11(3)19(16)4/h5-8,20H,1-4H3
InChIKeyWZKBVSTUQSSGAJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.27
Rot. Bonds1

About 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol

2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol (PubChem CID 170038842) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol.

Molecular Properties

Compound Name2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol
PubChem CID170038842
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(-c2ccnc3c2nc(C)n3C)c1
InChIInChI=1S/C16H17N3O/c1-9-7-10(2)15(20)13(8-9)12-5-6-17-16-14(12)18-11(3)19(16)4/h5-8,20H,1-4H3
InChIKeyWZKBVSTUQSSGAJ-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol?
The IUPAC name of 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol (CID 170038842) is 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol.
What is the SMILES notation for 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol?
The canonical SMILES for 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol is Cc1cc(C)c(O)c(-c2ccnc3c2nc(C)n3C)c1.
What is the InChIKey of 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol?
The InChIKey is WZKBVSTUQSSGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-9-7-10(2)15(20)13(8-9)12-5-6-17-16-14(12)18-11(3)19(16)4/h5-8,20H,1-4H3.
What are the key properties of 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol?
2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol has a molecular weight of 267.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-4,6-dimethylphenol is sourced from PubChem (CID 170038842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).