azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile

C15H12N6O — CID 11652231

IUPACazane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile
SMILESCc1ccc(-n2cnc3c(C#N)c(C#N)c(=O)[nH]c32)cc1.N
InChIInChI=1S/C15H9N5O.H3N/c1-9-2-4-10(5-3-9)20-8-18-13-11(6-16)12(7-17)15(21)19-14(13)20;/h2-5,8H,1H3,(H,19,21);1H3
InChIKeyAESZPKLGUFVNGH-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.93
Rot. Bonds1

About azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile

azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile (PubChem CID 11652231) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile.

Molecular Properties

Compound Nameazane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile
PubChem CID11652231
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Nameazane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile
SMILESCc1ccc(-n2cnc3c(C#N)c(C#N)c(=O)[nH]c32)cc1.N
InChIInChI=1S/C15H9N5O.H3N/c1-9-2-4-10(5-3-9)20-8-18-13-11(6-16)12(7-17)15(21)19-14(13)20;/h2-5,8H,1H3,(H,19,21);1H3
InChIKeyAESZPKLGUFVNGH-UHFFFAOYSA-N
XLogP1.93
TPSA133.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile?
The IUPAC name of azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile (CID 11652231) is azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile.
What is the SMILES notation for azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile?
The canonical SMILES for azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile is Cc1ccc(-n2cnc3c(C#N)c(C#N)c(=O)[nH]c32)cc1.N.
What is the InChIKey of azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile?
The InChIKey is AESZPKLGUFVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O.H3N/c1-9-2-4-10(5-3-9)20-8-18-13-11(6-16)12(7-17)15(21)19-14(13)20;/h2-5,8H,1H3,(H,19,21);1H3.
What are the key properties of azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile?
azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile has a molecular weight of 292.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile is sourced from PubChem (CID 11652231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).