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

C22H22N6O — CID 54670394

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H22N6O/c23-13-16-7-11-27(12-8-16)21-22(25-10-9-24-21)29-18-14-28(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
InChIKeyWPJWGZGPTQYLIZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.03
Rot. Bonds4

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

1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 54670394) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID54670394
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H22N6O/c23-13-16-7-11-27(12-8-16)21-22(25-10-9-24-21)29-18-14-28(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
InChIKeyWPJWGZGPTQYLIZ-UHFFFAOYSA-N
XLogP3.03
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-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)oxypyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile (CID 54670394) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile is N#CC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is WPJWGZGPTQYLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-13-16-7-11-27(12-8-16)21-22(25-10-9-24-21)29-18-14-28(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)oxypyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 54670394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).