5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile

C22H16F2N4O — CID 121301921

IUPAC5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile
SMILESCc1ccc2nc(C)c(-c3ccc(C#N)nc3)n2c1OCc1c(F)cccc1F
InChIInChI=1S/C22H16F2N4O/c1-13-6-9-20-27-14(2)21(15-7-8-16(10-25)26-11-15)28(20)22(13)29-12-17-18(23)4-3-5-19(17)24/h3-9,11H,12H2,1-2H3
InChIKeyYSLRAQLYTMAXNE-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.74
Rot. Bonds4

About 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile

5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile (PubChem CID 121301921) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile
PubChem CID121301921
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile
SMILESCc1ccc2nc(C)c(-c3ccc(C#N)nc3)n2c1OCc1c(F)cccc1F
InChIInChI=1S/C22H16F2N4O/c1-13-6-9-20-27-14(2)21(15-7-8-16(10-25)26-11-15)28(20)22(13)29-12-17-18(23)4-3-5-19(17)24/h3-9,11H,12H2,1-2H3
InChIKeyYSLRAQLYTMAXNE-UHFFFAOYSA-N
XLogP4.74
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile (CID 121301921) is 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile is Cc1ccc2nc(C)c(-c3ccc(C#N)nc3)n2c1OCc1c(F)cccc1F.
What is the InChIKey of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile?
The InChIKey is YSLRAQLYTMAXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c1-13-6-9-20-27-14(2)21(15-7-8-16(10-25)26-11-15)28(20)22(13)29-12-17-18(23)4-3-5-19(17)24/h3-9,11H,12H2,1-2H3.
What are the key properties of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile?
5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile has a molecular weight of 390.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 121301921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).