2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile

C22H16FN3O — CID 144996961

IUPAC2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n2cncc12
InChIInChI=1S/C22H16FN3O/c1-14-3-5-15(6-4-14)22-18(16-7-8-17(11-24)19(23)9-16)10-21(27-2)20-12-25-13-26(20)22/h3-10,12-13H,1-2H3
InChIKeyIPLXJZNPGDHXDA-UHFFFAOYSA-N
MW357.39 g/mol
LogP5.00
Rot. Bonds3

About 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile

2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 144996961) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID144996961
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n2cncc12
InChIInChI=1S/C22H16FN3O/c1-14-3-5-15(6-4-14)22-18(16-7-8-17(11-24)19(23)9-16)10-21(27-2)20-12-25-13-26(20)22/h3-10,12-13H,1-2H3
InChIKeyIPLXJZNPGDHXDA-UHFFFAOYSA-N
XLogP5.00
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sch 28080
CID 108137
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(3,5-difluoro-phenyl)-pyridine-2-carbonitrile
CID 10138186
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 146659129
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]pyridine-5-carbonitrile
CID 11725669
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(4-trifluoromethoxy-phenyl)-pyridine-2-carbonitrile
CID 44286376
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(3-trifluoromethoxy-phenyl)-pyridine-2-carbonitrile
CID 44286420
5-[[4-Cyano-2-(3-methoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile
CID 44286656
5-[[4-Cyano-2-[3-(trifluoromethoxy)phenyl]phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile
CID 44286801
5-((5-(((5-cyano-3''-ethoxybiphenyl-2-yl)methoxy)methyl)-1H-imidazol-1-yl)methyl)picolinonitrile
CID 44395111
N-[[3-[(2-amino-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-5-methoxy-6-phenylpyridin-2-amine
CID 73355620
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 144996961) is 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n2cncc12.
What is the InChIKey of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is IPLXJZNPGDHXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c1-14-3-5-15(6-4-14)22-18(16-7-8-17(11-24)19(23)9-16)10-21(27-2)20-12-25-13-26(20)22/h3-10,12-13H,1-2H3.
What are the key properties of 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 357.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-methoxy-5-(4-methylphenyl)imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 144996961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).