1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile

C22H22N6 — CID 58546956

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H22N6/c23-13-16-7-11-27(12-8-16)22-21(24-9-10-25-22)18-14-28(15-18)20-6-5-17-3-1-2-4-19(17)26-20/h1-6,9-10,16,18H,7-8,11-12,14-15H2
InChIKeyHEQACRRBIKQELW-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.37
Rot. Bonds3

About 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58546956) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58546956
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H22N6/c23-13-16-7-11-27(12-8-16)22-21(24-9-10-25-22)18-14-28(15-18)20-6-5-17-3-1-2-4-19(17)26-20/h1-6,9-10,16,18H,7-8,11-12,14-15H2
InChIKeyHEQACRRBIKQELW-UHFFFAOYSA-N
XLogP3.37
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile (CID 58546956) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile is N#CC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is HEQACRRBIKQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c23-13-16-7-11-27(12-8-16)22-21(24-9-10-25-22)18-14-28(15-18)20-6-5-17-3-1-2-4-19(17)26-20/h1-6,9-10,16,18H,7-8,11-12,14-15H2.
What are the key properties of 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58546956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).