2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile

C22H17N3O — CID 118733901

IUPAC2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile
SMILESCOc1ccc(-c2ccn3c(-c4ccc(CC#N)cc4)cnc3c2)cc1
InChIInChI=1S/C22H17N3O/c1-26-20-8-6-17(7-9-20)19-11-13-25-21(15-24-22(25)14-19)18-4-2-16(3-5-18)10-12-23/h2-9,11,13-15H,10H2,1H3
InChIKeyIGVLJYFGVZCDLY-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.74
Rot. Bonds4

About 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile

2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile (PubChem CID 118733901) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile
PubChem CID118733901
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile
SMILESCOc1ccc(-c2ccn3c(-c4ccc(CC#N)cc4)cnc3c2)cc1
InChIInChI=1S/C22H17N3O/c1-26-20-8-6-17(7-9-20)19-11-13-25-21(15-24-22(25)14-19)18-4-2-16(3-5-18)10-12-23/h2-9,11,13-15H,10H2,1H3
InChIKeyIGVLJYFGVZCDLY-UHFFFAOYSA-N
XLogP4.74
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile (CID 118733901) is 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile is COc1ccc(-c2ccn3c(-c4ccc(CC#N)cc4)cnc3c2)cc1.
What is the InChIKey of 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile?
The InChIKey is IGVLJYFGVZCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-20-8-6-17(7-9-20)19-11-13-25-21(15-24-22(25)14-19)18-4-2-16(3-5-18)10-12-23/h2-9,11,13-15H,10H2,1H3.
What are the key properties of 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile?
2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile has a molecular weight of 339.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile is sourced from PubChem (CID 118733901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).