1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one

C16H15FN4O — CID 175785942

IUPAC1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(F)cc3)cc2n1C[C@H]1CCN1
InChIInChI=1S/C16H15FN4O/c17-12-3-1-10(2-4-12)11-7-14-15(19-8-11)20-16(22)21(14)9-13-5-6-18-13/h1-4,7-8,13,18H,5-6,9H2,(H,19,20,22)/t13-/m1/s1
InChIKeyKZGINNLKVIAAIV-CYBMUJFWSA-N
MW298.32 g/mol
LogP1.89
Rot. Bonds3

About 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one

1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 175785942) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID175785942
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(F)cc3)cc2n1C[C@H]1CCN1
InChIInChI=1S/C16H15FN4O/c17-12-3-1-10(2-4-12)11-7-14-15(19-8-11)20-16(22)21(14)9-13-5-6-18-13/h1-4,7-8,13,18H,5-6,9H2,(H,19,20,22)/t13-/m1/s1
InChIKeyKZGINNLKVIAAIV-CYBMUJFWSA-N
XLogP1.89
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 175785942) is 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3ccc(F)cc3)cc2n1C[C@H]1CCN1.
What is the InChIKey of 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KZGINNLKVIAAIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-12-3-1-10(2-4-12)11-7-14-15(19-8-11)20-16(22)21(14)9-13-5-6-18-13/h1-4,7-8,13,18H,5-6,9H2,(H,19,20,22)/t13-/m1/s1.
What are the key properties of 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 298.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-azetidin-2-yl]methyl]-6-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 175785942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).