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

C23H21N7 — CID 58547156

IUPAC2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H21N7/c24-12-16-5-9-29(10-6-16)23-22(26-7-8-27-23)18-14-30(15-18)21-11-17(13-25)19-3-1-2-4-20(19)28-21/h1-4,7-8,11,16,18H,5-6,9-10,14-15H2
InChIKeyBRQLDZVWFOISBT-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.24
Rot. Bonds3

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

2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile (PubChem CID 58547156) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile
PubChem CID58547156
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccccc12
InChIInChI=1S/C23H21N7/c24-12-16-5-9-29(10-6-16)23-22(26-7-8-27-23)18-14-30(15-18)21-11-17(13-25)19-3-1-2-4-20(19)28-21/h1-4,7-8,11,16,18H,5-6,9-10,14-15H2
InChIKeyBRQLDZVWFOISBT-UHFFFAOYSA-N
XLogP3.24
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-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 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile (CID 58547156) is 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccccc12.
What is the InChIKey of 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is BRQLDZVWFOISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c24-12-16-5-9-29(10-6-16)23-22(26-7-8-27-23)18-14-30(15-18)21-11-17(13-25)19-3-1-2-4-20(19)28-21/h1-4,7-8,11,16,18H,5-6,9-10,14-15H2.
What are the key properties of 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile?
2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-cyanopiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 58547156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).