3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one

C9H11N3O2 — CID 70376492

IUPAC3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(O)n1c(=O)[nH]c2cccnc21
InChIInChI=1S/C9H11N3O2/c1-2-7(13)12-8-6(11-9(12)14)4-3-5-10-8/h3-5,7,13H,2H2,1H3,(H,11,14)
InChIKeyZMMIFRIGPQTTFJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.63
Rot. Bonds2

About 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 70376492) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID70376492
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(O)n1c(=O)[nH]c2cccnc21
InChIInChI=1S/C9H11N3O2/c1-2-7(13)12-8-6(11-9(12)14)4-3-5-10-8/h3-5,7,13H,2H2,1H3,(H,11,14)
InChIKeyZMMIFRIGPQTTFJ-UHFFFAOYSA-N
XLogP0.63
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 70376492) is 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one is CCC(O)n1c(=O)[nH]c2cccnc21.
What is the InChIKey of 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZMMIFRIGPQTTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-7(13)12-8-6(11-9(12)14)4-3-5-10-8/h3-5,7,13H,2H2,1H3,(H,11,14).
What are the key properties of 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 193.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 70376492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).