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

C18H18FN3O — CID 117161305

IUPAC3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1Cn1c(CC2CCOC2)nc2cccnc21
InChIInChI=1S/C18H18FN3O/c19-15-5-2-1-4-14(15)11-22-17(10-13-7-9-23-12-13)21-16-6-3-8-20-18(16)22/h1-6,8,13H,7,9-12H2
InChIKeyHIYHMFODDZWYMW-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.20
Rot. Bonds4

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

3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161305) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161305
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1Cn1c(CC2CCOC2)nc2cccnc21
InChIInChI=1S/C18H18FN3O/c19-15-5-2-1-4-14(15)11-22-17(10-13-7-9-23-12-13)21-16-6-3-8-20-18(16)22/h1-6,8,13H,7,9-12H2
InChIKeyHIYHMFODDZWYMW-UHFFFAOYSA-N
XLogP3.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416
3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016
2-[(2-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165182
2-(oxan-3-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164115
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165916
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117164109
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117161305) is 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is Fc1ccccc1Cn1c(CC2CCOC2)nc2cccnc21.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is HIYHMFODDZWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-5-2-1-4-14(15)11-22-17(10-13-7-9-23-12-13)21-16-6-3-8-20-18(16)22/h1-6,8,13H,7,9-12H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 311.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).