2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine

C17H16FN3O — CID 117166729

IUPAC2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1cccc(-c2nc3cccnc3n2CC2CCCO2)c1
InChIInChI=1S/C17H16FN3O/c18-13-5-1-4-12(10-13)16-20-15-7-2-8-19-17(15)21(16)11-14-6-3-9-22-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2
InChIKeyONBYOSQBAJGREJ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine

2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117166729) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117166729
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1cccc(-c2nc3cccnc3n2CC2CCCO2)c1
InChIInChI=1S/C17H16FN3O/c18-13-5-1-4-12(10-13)16-20-15-7-2-8-19-17(15)21(16)11-14-6-3-9-22-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2
InChIKeyONBYOSQBAJGREJ-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166582
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117166710
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163403
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95097052
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162925

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117166729) is 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is Fc1cccc(-c2nc3cccnc3n2CC2CCCO2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ONBYOSQBAJGREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-5-1-4-12(10-13)16-20-15-7-2-8-19-17(15)21(16)11-14-6-3-9-22-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2.
What are the key properties of 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 297.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).