6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline

C23H19N5 — CID 118660774

IUPAC6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)cc34)cc2)cn1
InChIInChI=1S/C23H19N5/c1-27-10-9-25-23(27)18-7-8-19-12-24-14-22(21(19)11-18)17-5-3-16(4-6-17)20-13-26-28(2)15-20/h3-15H,1-2H3
InChIKeyAGXNDPDCEGWAIY-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.70
Rot. Bonds3

About 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline

6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline (PubChem CID 118660774) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
PubChem CID118660774
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)cc34)cc2)cn1
InChIInChI=1S/C23H19N5/c1-27-10-9-25-23(27)18-7-8-19-12-24-14-22(21(19)11-18)17-5-3-16(4-6-17)20-13-26-28(2)15-20/h3-15H,1-2H3
InChIKeyAGXNDPDCEGWAIY-UHFFFAOYSA-N
XLogP4.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
The IUPAC name of 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline (CID 118660774) is 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
The canonical SMILES for 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline is Cn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)cc34)cc2)cn1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
The InChIKey is AGXNDPDCEGWAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-27-10-9-25-23(27)18-7-8-19-12-24-14-22(21(19)11-18)17-5-3-16(4-6-17)20-13-26-28(2)15-20/h3-15H,1-2H3.
What are the key properties of 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline?
6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline has a molecular weight of 365.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline is sourced from PubChem (CID 118660774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).