4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile

C21H16N4O — CID 168925217

IUPAC4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCCOc1cc(-c2ccn3c(-c4ccc(C#N)cc4)cnc3c2)ccn1
InChIInChI=1S/C21H16N4O/c1-2-26-21-12-17(7-9-23-21)18-8-10-25-19(14-24-20(25)11-18)16-5-3-15(13-22)4-6-16/h3-12,14H,2H2,1H3
InChIKeyLFZXUJYHIFKUHT-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.33
Rot. Bonds4

About 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile

4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 168925217) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
PubChem CID168925217
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCCOc1cc(-c2ccn3c(-c4ccc(C#N)cc4)cnc3c2)ccn1
InChIInChI=1S/C21H16N4O/c1-2-26-21-12-17(7-9-23-21)18-8-10-25-19(14-24-20(25)11-18)16-5-3-15(13-22)4-6-16/h3-12,14H,2H2,1H3
InChIKeyLFZXUJYHIFKUHT-UHFFFAOYSA-N
XLogP4.33
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 56593407
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 68541986
4-[7-(4-cyclopropylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 163717547
3-(2-fluoro-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 54765365
4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline
CID 68546216
7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine
CID 56593403
3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 56593408
3-(2-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
CID 56593422
2-[5-(3-phenylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol
CID 141435579
3-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 89259333

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 168925217) is 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile is CCOc1cc(-c2ccn3c(-c4ccc(C#N)cc4)cnc3c2)ccn1.
What is the InChIKey of 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The InChIKey is LFZXUJYHIFKUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-26-21-12-17(7-9-23-21)18-8-10-25-19(14-24-20(25)11-18)16-5-3-15(13-22)4-6-16/h3-12,14H,2H2,1H3.
What are the key properties of 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile?
4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 340.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-ethoxy-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 168925217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).