2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

C13H12N4O — CID 58345705

IUPAC2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one
SMILESCc1ccccc1-n1c(N)nc2ccc(=O)[nH]c21
InChIInChI=1S/C13H12N4O/c1-8-4-2-3-5-10(8)17-12-9(15-13(17)14)6-7-11(18)16-12/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyZLHVXYZJYQKPNR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.60
Rot. Bonds1

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

2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 58345705) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID58345705
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one
SMILESCc1ccccc1-n1c(N)nc2ccc(=O)[nH]c21
InChIInChI=1S/C13H12N4O/c1-8-4-2-3-5-10(8)17-12-9(15-13(17)14)6-7-11(18)16-12/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyZLHVXYZJYQKPNR-UHFFFAOYSA-N
XLogP1.60
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one (CID 58345705) is 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one is Cc1ccccc1-n1c(N)nc2ccc(=O)[nH]c21.
What is the InChIKey of 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is ZLHVXYZJYQKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-4-2-3-5-10(8)17-12-9(15-13(17)14)6-7-11(18)16-12/h2-7H,1H3,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 240.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 58345705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).