3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline

C21H14N4 — CID 58517426

IUPAC3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline
SMILESc1cc(-c2ccc3c(ccn4c(-c5ccncc5)cnc34)c2)ccn1
InChIInChI=1S/C21H14N4/c1-2-19-18(13-17(1)15-3-8-22-9-4-15)7-12-25-20(14-24-21(19)25)16-5-10-23-11-6-16/h1-14H
InChIKeyPVARBZXRSUNCQM-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.61
Rot. Bonds2

About 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline

3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline (PubChem CID 58517426) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline
PubChem CID58517426
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline
SMILESc1cc(-c2ccc3c(ccn4c(-c5ccncc5)cnc34)c2)ccn1
InChIInChI=1S/C21H14N4/c1-2-19-18(13-17(1)15-3-8-22-9-4-15)7-12-25-20(14-24-21(19)25)16-5-10-23-11-6-16/h1-14H
InChIKeyPVARBZXRSUNCQM-UHFFFAOYSA-N
XLogP4.61
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 68541986
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
8-methoxy-3-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 164697106
6-pyridin-4-ylnaphthalen-1-ol
CID 53321857
3-pyridin-2-ylimidazo[2,1-a]isoquinoline
CID 58517592
3-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 89259333
8-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine;4-methylpyridine
CID 143461052
4-(7-bromonaphthalen-2-yl)pyridine
CID 141295896
pyrimido[2,1-a][2,6]naphthyridin-4-one
CID 140590865
4-[4-[6-(3,5-dimethylphenyl)naphthalen-2-yl]phenyl]pyridine
CID 170289207
7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
CID 10269530
5-(4-fluorophenyl)-3,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
CID 171780846

Frequently Asked Questions

What is the IUPAC name of 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline (CID 58517426) is 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline is c1cc(-c2ccc3c(ccn4c(-c5ccncc5)cnc34)c2)ccn1.
What is the InChIKey of 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline?
The InChIKey is PVARBZXRSUNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c1-2-19-18(13-17(1)15-3-8-22-9-4-15)7-12-25-20(14-24-21(19)25)16-5-10-23-11-6-16/h1-14H.
What are the key properties of 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline?
3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline has a molecular weight of 322.37 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).