3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile

C19H13N5O2 — CID 156895849

IUPAC3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccc(-n2c(=O)[nH]c3cccnc32)cn1
InChIInChI=1S/C19H13N5O2/c1-12-9-13(10-20)4-6-16(12)26-17-7-5-14(11-22-17)24-18-15(23-19(24)25)3-2-8-21-18/h2-9,11H,1H3,(H,23,25)
InChIKeyAQCOFGOBPDDXNR-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.08
Rot. Bonds3

About 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile

3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile (PubChem CID 156895849) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile
PubChem CID156895849
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccc(-n2c(=O)[nH]c3cccnc32)cn1
InChIInChI=1S/C19H13N5O2/c1-12-9-13(10-20)4-6-16(12)26-17-7-5-14(11-22-17)24-18-15(23-19(24)25)3-2-8-21-18/h2-9,11H,1H3,(H,23,25)
InChIKeyAQCOFGOBPDDXNR-UHFFFAOYSA-N
XLogP3.08
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile (CID 156895849) is 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile is Cc1cc(C#N)ccc1Oc1ccc(-n2c(=O)[nH]c3cccnc32)cn1.
What is the InChIKey of 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is AQCOFGOBPDDXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c1-12-9-13(10-20)4-6-16(12)26-17-7-5-14(11-22-17)24-18-15(23-19(24)25)3-2-8-21-18/h2-9,11H,1H3,(H,23,25).
What are the key properties of 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile?
3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 343.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 156895849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).