2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol

C15H22N4O — CID 117159828

IUPAC2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
SMILESCCN1CCC(Cn2c(CCO)nc3cccnc32)C1
InChIInChI=1S/C15H22N4O/c1-2-18-8-5-12(10-18)11-19-14(6-9-20)17-13-4-3-7-16-15(13)19/h3-4,7,12,20H,2,5-6,8-11H2,1H3
InChIKeyMAQUQEYRINKZLT-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.31
Rot. Bonds5

About 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol

2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol (PubChem CID 117159828) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
PubChem CID117159828
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
SMILESCCN1CCC(Cn2c(CCO)nc3cccnc32)C1
InChIInChI=1S/C15H22N4O/c1-2-18-8-5-12(10-18)11-19-14(6-9-20)17-13-4-3-7-16-15(13)19/h3-4,7,12,20H,2,5-6,8-11H2,1H3
InChIKeyMAQUQEYRINKZLT-UHFFFAOYSA-N
XLogP1.31
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol (CID 117159828) is 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol is CCN1CCC(Cn2c(CCO)nc3cccnc32)C1.
What is the InChIKey of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol?
The InChIKey is MAQUQEYRINKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-18-8-5-12(10-18)11-19-14(6-9-20)17-13-4-3-7-16-15(13)19/h3-4,7,12,20H,2,5-6,8-11H2,1H3.
What are the key properties of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol?
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol has a molecular weight of 274.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 117159828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).