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

C18H18FN3O — CID 117161697

IUPAC3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CC3CCOCC3)nc3cccnc32)cc1
InChIInChI=1S/C18H18FN3O/c19-14-3-5-15(6-4-14)22-17(12-13-7-10-23-11-8-13)21-16-2-1-9-20-18(16)22/h1-6,9,13H,7-8,10-12H2
InChIKeyMBTTWGGEEGZDFL-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.53
Rot. Bonds3

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

3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161697) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161697
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CC3CCOCC3)nc3cccnc32)cc1
InChIInChI=1S/C18H18FN3O/c19-14-3-5-15(6-4-14)22-17(12-13-7-10-23-11-8-13)21-16-2-1-9-20-18(16)22/h1-6,9,13H,7-8,10-12H2
InChIKeyMBTTWGGEEGZDFL-UHFFFAOYSA-N
XLogP3.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161697) is 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine is Fc1ccc(-n2c(CC3CCOCC3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is MBTTWGGEEGZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-14-3-5-15(6-4-14)22-17(12-13-7-10-23-11-8-13)21-16-2-1-9-20-18(16)22/h1-6,9,13H,7-8,10-12H2.
What are the key properties of 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 311.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).