5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline

C27H18N4 — CID 90297358

IUPAC5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc3ccccc3c3c(-c4ccccn4)c(-c4ccccn4)nn23)cc1
InChIInChI=1S/C27H18N4/c1-2-10-19(11-3-1)24-18-20-12-4-5-13-21(20)27-25(22-14-6-8-16-28-22)26(30-31(24)27)23-15-7-9-17-29-23/h1-18H
InChIKeyGBSOLSNXCGZOHO-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.28
Rot. Bonds3

About 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline

5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297358) has the molecular formula C27H18N4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline
PubChem CID90297358
Molecular FormulaC27H18N4
Molecular Weight398.47 g/mol
Exact Mass398.15
IUPAC Name5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc3ccccc3c3c(-c4ccccn4)c(-c4ccccn4)nn23)cc1
InChIInChI=1S/C27H18N4/c1-2-10-19(11-3-1)24-18-20-12-4-5-13-21(20)27-25(22-14-6-8-16-28-22)26(30-31(24)27)23-15-7-9-17-29-23/h1-18H
InChIKeyGBSOLSNXCGZOHO-UHFFFAOYSA-N
XLogP6.28
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-anthracen-9-ylphenyl)-1-phenyl-5-pyridin-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297673
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
1,5-diphenyl-2-pyren-4-ylpyrazolo[5,1-a]isoquinoline
CID 90297552
1-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927859
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2,5-diphenyl-1-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 164927762
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928213

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline (CID 90297358) is 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2cc3ccccc3c3c(-c4ccccn4)c(-c4ccccn4)nn23)cc1.
What is the InChIKey of 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline?
The InChIKey is GBSOLSNXCGZOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4/c1-2-10-19(11-3-1)24-18-20-12-4-5-13-21(20)27-25(22-14-6-8-16-28-22)26(30-31(24)27)23-15-7-9-17-29-23/h1-18H.
What are the key properties of 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline?
5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline has a molecular weight of 398.47 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).