3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile

C17H15ClN4 — CID 94745997

IUPAC3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESN#CCCn1c(CCc2ccccc2)nc2cc(Cl)cnc21
InChIInChI=1S/C17H15ClN4/c18-14-11-15-17(20-12-14)22(10-4-9-19)16(21-15)8-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8,10H2
InChIKeyXPJNPPVUFTUSQZ-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.78
Rot. Bonds5

About 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile

3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile (PubChem CID 94745997) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
PubChem CID94745997
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESN#CCCn1c(CCc2ccccc2)nc2cc(Cl)cnc21
InChIInChI=1S/C17H15ClN4/c18-14-11-15-17(20-12-14)22(10-4-9-19)16(21-15)8-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8,10H2
InChIKeyXPJNPPVUFTUSQZ-UHFFFAOYSA-N
XLogP3.78
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The IUPAC name of 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile (CID 94745997) is 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The canonical SMILES for 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile is N#CCCn1c(CCc2ccccc2)nc2cc(Cl)cnc21.
What is the InChIKey of 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The InChIKey is XPJNPPVUFTUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-14-11-15-17(20-12-14)22(10-4-9-19)16(21-15)8-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8,10H2.
What are the key properties of 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile has a molecular weight of 310.79 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 94745997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).