5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H10N4O — CID 5492217

IUPAC5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)[nH]c2cc1-c1ccncc1
InChIInChI=1S/C12H10N4O/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)16-12(17)15-10/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyMQMTXZJPAGLGFF-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.62
Rot. Bonds1

About 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 5492217) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID5492217
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)[nH]c2cc1-c1ccncc1
InChIInChI=1S/C12H10N4O/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)16-12(17)15-10/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyMQMTXZJPAGLGFF-UHFFFAOYSA-N
XLogP1.62
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 5492217) is 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)[nH]c2cc1-c1ccncc1.
What is the InChIKey of 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is MQMTXZJPAGLGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)16-12(17)15-10/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 5492217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).