1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

C11H12N4O — CID 163602152

IUPAC1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1=CCNCC1
InChIInChI=1S/C11H12N4O/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8/h1-3,5,12H,4,6-7H2,(H,13,14,16)
InChIKeyGYOQXWCAWRQFMY-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.56
Rot. Bonds1

About 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 163602152) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID163602152
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1=CCNCC1
InChIInChI=1S/C11H12N4O/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8/h1-3,5,12H,4,6-7H2,(H,13,14,16)
InChIKeyGYOQXWCAWRQFMY-UHFFFAOYSA-N
XLogP0.56
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 163602152) is 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1C1=CCNCC1.
What is the InChIKey of 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GYOQXWCAWRQFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8/h1-3,5,12H,4,6-7H2,(H,13,14,16).
What are the key properties of 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 163602152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).