4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline

C19H16N4 — CID 177329540

IUPAC4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline
SMILESCc1ccc(-c2cnn(-c3ncc(C)c4ccccc34)c2)cn1
InChIInChI=1S/C19H16N4/c1-13-9-21-19(18-6-4-3-5-17(13)18)23-12-16(11-22-23)15-8-7-14(2)20-10-15/h3-12H,1-2H3
InChIKeyACLDXQWPXLHGIW-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.10
Rot. Bonds2

About 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline

4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline (PubChem CID 177329540) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline.

Molecular Properties

Compound Name4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline
PubChem CID177329540
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline
SMILESCc1ccc(-c2cnn(-c3ncc(C)c4ccccc34)c2)cn1
InChIInChI=1S/C19H16N4/c1-13-9-21-19(18-6-4-3-5-17(13)18)23-12-16(11-22-23)15-8-7-14(2)20-10-15/h3-12H,1-2H3
InChIKeyACLDXQWPXLHGIW-UHFFFAOYSA-N
XLogP4.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline?
The IUPAC name of 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline (CID 177329540) is 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline.
What is the SMILES notation for 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline?
The canonical SMILES for 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline is Cc1ccc(-c2cnn(-c3ncc(C)c4ccccc34)c2)cn1.
What is the InChIKey of 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline?
The InChIKey is ACLDXQWPXLHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-9-21-19(18-6-4-3-5-17(13)18)23-12-16(11-22-23)15-8-7-14(2)20-10-15/h3-12H,1-2H3.
What are the key properties of 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline?
4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline has a molecular weight of 300.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(6-methyl-3-pyridinyl)pyrazol-1-yl]isoquinoline is sourced from PubChem (CID 177329540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).