2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

C20H18N6 — CID 58546789

IUPAC2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cnn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C20H18N6/c1-14-10-23-26(11-14)20-19(21-8-9-22-20)16-12-25(13-16)18-7-6-15-4-2-3-5-17(15)24-18/h2-11,16H,12-13H2,1H3
InChIKeyZIWMDWISXSRNAU-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.12
Rot. Bonds3

About 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546789) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546789
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cnn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C20H18N6/c1-14-10-23-26(11-14)20-19(21-8-9-22-20)16-12-25(13-16)18-7-6-15-4-2-3-5-17(15)24-18/h2-11,16H,12-13H2,1H3
InChIKeyZIWMDWISXSRNAU-UHFFFAOYSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546789) is 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1cnn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is ZIWMDWISXSRNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-14-10-23-26(11-14)20-19(21-8-9-22-20)16-12-25(13-16)18-7-6-15-4-2-3-5-17(15)24-18/h2-11,16H,12-13H2,1H3.
What are the key properties of 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 342.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methylpyrazol-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).