4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one

C11H14N4O2 — CID 168817897

IUPAC4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1[nH]c(=O)n2C1CCOCC1
InChIInChI=1S/C11H14N4O2/c12-10-9-8(1-4-13-10)15(11(16)14-9)7-2-5-17-6-3-7/h1,4,7H,2-3,5-6H2,(H2,12,13)(H,14,16)
InChIKeyYMVRHKPLCLCUCA-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.66
Rot. Bonds1

About 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 168817897) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID168817897
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1[nH]c(=O)n2C1CCOCC1
InChIInChI=1S/C11H14N4O2/c12-10-9-8(1-4-13-10)15(11(16)14-9)7-2-5-17-6-3-7/h1,4,7H,2-3,5-6H2,(H2,12,13)(H,14,16)
InChIKeyYMVRHKPLCLCUCA-UHFFFAOYSA-N
XLogP0.66
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one (CID 168817897) is 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nccc2c1[nH]c(=O)n2C1CCOCC1.
What is the InChIKey of 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is YMVRHKPLCLCUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-10-9-8(1-4-13-10)15(11(16)14-9)7-2-5-17-6-3-7/h1,4,7H,2-3,5-6H2,(H2,12,13)(H,14,16).
What are the key properties of 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 168817897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).