2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline

C27H18N4 — CID 129040290

IUPAC2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline
SMILESc1ccc(-c2cc(-c3cc4cc5ccccc5cn4n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H18N4/c1-3-9-19(10-4-1)24-17-25(29-27(28-24)20-11-5-2-6-12-20)26-16-23-15-21-13-7-8-14-22(21)18-31(23)30-26/h1-18H
InChIKeyWZMHTUJIOSZMQB-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.28
Rot. Bonds3

About 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline

2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline (PubChem CID 129040290) has the molecular formula C27H18N4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline.

Molecular Properties

Compound Name2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline
PubChem CID129040290
Molecular FormulaC27H18N4
Molecular Weight398.47 g/mol
Exact Mass398.15
IUPAC Name2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline
SMILESc1ccc(-c2cc(-c3cc4cc5ccccc5cn4n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H18N4/c1-3-9-19(10-4-1)24-17-25(29-27(28-24)20-11-5-2-6-12-20)26-16-23-15-21-13-7-8-14-22(21)18-31(23)30-26/h1-18H
InChIKeyWZMHTUJIOSZMQB-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

Analyze 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline
CID 129040395
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-(5-pyrazolo[1,5-b]isoquinolin-2-yl-2-pyridinyl)pyrazolo[1,5-b]isoquinoline;2-(6-pyrazolo[1,5-b]isoquinolin-2-yl-2-pyridinyl)pyrazolo[1,5-b]isoquinoline;triphenyl-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)silane
CID 162023989
3-[6-(3-methyl-4-phenylphenyl)-2-phenylpyrimidin-4-yl]-2-phenylpyrazolo[1,5-b]isoquinoline
CID 144960373
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline?
The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline (CID 129040290) is 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline.
What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline?
The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline is c1ccc(-c2cc(-c3cc4cc5ccccc5cn4n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline?
The InChIKey is WZMHTUJIOSZMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4/c1-3-9-19(10-4-1)24-17-25(29-27(28-24)20-11-5-2-6-12-20)26-16-23-15-21-13-7-8-14-22(21)18-31(23)30-26/h1-18H.
What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline?
2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]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 2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline is sourced from PubChem (CID 129040290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).