3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one

C11H14FN3O — CID 163821310

IUPAC3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one
SMILESCc1cc(=O)c2nc(F)n(C(C)(C)C)c2[nH]1
InChIInChI=1S/C11H14FN3O/c1-6-5-7(16)8-9(13-6)15(10(12)14-8)11(2,3)4/h5H,1-4H3,(H,13,16)
InChIKeyQFESKQIRMRLBMU-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.93
Rot. Bonds

About 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one

3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one (PubChem CID 163821310) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one
PubChem CID163821310
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one
SMILESCc1cc(=O)c2nc(F)n(C(C)(C)C)c2[nH]1
InChIInChI=1S/C11H14FN3O/c1-6-5-7(16)8-9(13-6)15(10(12)14-8)11(2,3)4/h5H,1-4H3,(H,13,16)
InChIKeyQFESKQIRMRLBMU-UHFFFAOYSA-N
XLogP1.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one?
The IUPAC name of 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one (CID 163821310) is 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one.
What is the SMILES notation for 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one?
The canonical SMILES for 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one is Cc1cc(=O)c2nc(F)n(C(C)(C)C)c2[nH]1.
What is the InChIKey of 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one?
The InChIKey is QFESKQIRMRLBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-6-5-7(16)8-9(13-6)15(10(12)14-8)11(2,3)4/h5H,1-4H3,(H,13,16).
What are the key properties of 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one?
3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one has a molecular weight of 223.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-fluoro-5-methyl-4H-imidazo[4,5-b]pyridin-7-one is sourced from PubChem (CID 163821310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).