2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol

C13H17N3O2 — CID 117163159

IUPAC2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESOCCn1c(CC2CCCO2)nc2cccnc21
InChIInChI=1S/C13H17N3O2/c17-7-6-16-12(9-10-3-2-8-18-10)15-11-4-1-5-14-13(11)16/h1,4-5,10,17H,2-3,6-9H2
InChIKeyRJRCLTUQZRSHRZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.15
Rot. Bonds4

About 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol

2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol (PubChem CID 117163159) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
PubChem CID117163159
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESOCCn1c(CC2CCCO2)nc2cccnc21
InChIInChI=1S/C13H17N3O2/c17-7-6-16-12(9-10-3-2-8-18-10)15-11-4-1-5-14-13(11)16/h1,4-5,10,17H,2-3,6-9H2
InChIKeyRJRCLTUQZRSHRZ-UHFFFAOYSA-N
XLogP1.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163403
2-[2-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163596
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The IUPAC name of 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol (CID 117163159) is 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol is OCCn1c(CC2CCCO2)nc2cccnc21.
What is the InChIKey of 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The InChIKey is RJRCLTUQZRSHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-7-6-16-12(9-10-3-2-8-18-10)15-11-4-1-5-14-13(11)16/h1,4-5,10,17H,2-3,6-9H2.
What are the key properties of 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 117163159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).