2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile

C23H17F2N3O — CID 10000391

IUPAC2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1F
InChIInChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3
InChIKeyFIXFKUDATBTRAZ-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.05
Rot. Bonds3

About 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile

2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile (PubChem CID 10000391) has the molecular formula C23H17F2N3O and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
PubChem CID10000391
Molecular FormulaC23H17F2N3O
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
SMILESCC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1F
InChIInChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3
InChIKeyFIXFKUDATBTRAZ-UHFFFAOYSA-N
XLogP5.05
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile (CID 10000391) is 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile is CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1F.
What is the InChIKey of 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile?
The InChIKey is FIXFKUDATBTRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3.
What are the key properties of 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile?
2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile has a molecular weight of 389.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 10000391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).