4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile

C16H14N4 — CID 59706942

IUPAC4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCC(C)c1nc2cccnc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C16H14N4/c1-11(2)15-19-14-4-3-9-18-16(14)20(15)13-7-5-12(10-17)6-8-13/h3-9,11H,1-2H3
InChIKeyWIVHPLMANAHJIB-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.42
Rot. Bonds2

About 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile

4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile (PubChem CID 59706942) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
PubChem CID59706942
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCC(C)c1nc2cccnc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C16H14N4/c1-11(2)15-19-14-4-3-9-18-16(14)20(15)13-7-5-12(10-17)6-8-13/h3-9,11H,1-2H3
InChIKeyWIVHPLMANAHJIB-UHFFFAOYSA-N
XLogP3.42
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile (CID 59706942) is 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile is CC(C)c1nc2cccnc2n1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The InChIKey is WIVHPLMANAHJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11(2)15-19-14-4-3-9-18-16(14)20(15)13-7-5-12(10-17)6-8-13/h3-9,11H,1-2H3.
What are the key properties of 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 59706942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).