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

C23H31N3O — CID 19385686

IUPAC4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1O
InChIInChI=1S/C23H31N3O/c1-6-9-18-12-17(13-19(10-7-2)22(18)27)14-26-20(8-3)25-21-15(4)11-16(5)24-23(21)26/h11-13,27H,6-10,14H2,1-5H3
InChIKeyXCDWCIRJYOBQKU-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.27
Rot. Bonds7

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

4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol (PubChem CID 19385686) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol.

Molecular Properties

Compound Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol
PubChem CID19385686
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol
SMILESCCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1O
InChIInChI=1S/C23H31N3O/c1-6-9-18-12-17(13-19(10-7-2)22(18)27)14-26-20(8-3)25-21-15(4)11-16(5)24-23(21)26/h11-13,27H,6-10,14H2,1-5H3
InChIKeyXCDWCIRJYOBQKU-UHFFFAOYSA-N
XLogP5.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol?
The IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol (CID 19385686) is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol.
What is the SMILES notation for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol?
The canonical SMILES for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol is CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1O.
What is the InChIKey of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol?
The InChIKey is XCDWCIRJYOBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-6-9-18-12-17(13-19(10-7-2)22(18)27)14-26-20(8-3)25-21-15(4)11-16(5)24-23(21)26/h11-13,27H,6-10,14H2,1-5H3.
What are the key properties of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol?
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol has a molecular weight of 365.52 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenol is sourced from PubChem (CID 19385686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).