[1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol

C21H24N6O — CID 58547070

IUPAC[1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3cnc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H24N6O/c28-14-15-5-9-26(10-6-15)21-20(22-7-8-23-21)16-12-27(13-16)19-11-24-17-3-1-2-4-18(17)25-19/h1-4,7-8,11,15-16,28H,5-6,9-10,12-14H2
InChIKeyRVVKLIGZRNHJIR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.23
Rot. Bonds4

About [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547070) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58547070
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3cnc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H24N6O/c28-14-15-5-9-26(10-6-15)21-20(22-7-8-23-21)16-12-27(13-16)19-11-24-17-3-1-2-4-18(17)25-19/h1-4,7-8,11,15-16,28H,5-6,9-10,12-14H2
InChIKeyRVVKLIGZRNHJIR-UHFFFAOYSA-N
XLogP2.23
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol 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-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol (CID 58547070) is [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3cnc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is RVVKLIGZRNHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-14-15-5-9-26(10-6-15)21-20(22-7-8-23-21)16-12-27(13-16)19-11-24-17-3-1-2-4-18(17)25-19/h1-4,7-8,11,15-16,28H,5-6,9-10,12-14H2.
What are the key properties of [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 376.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-quinoxalin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).