3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile

C18H23ClN6O2 — CID 166452622

IUPAC3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1ncc(N2CCCC(N3CCN(C4CCOCC4)C3=O)C2)nc1Cl
InChIInChI=1S/C18H23ClN6O2/c19-17-15(10-20)21-11-16(22-17)23-5-1-2-14(12-23)25-7-6-24(18(25)26)13-3-8-27-9-4-13/h11,13-14H,1-9,12H2
InChIKeySKFUBLHSOKKNLK-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.89
Rot. Bonds3

About 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile

3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 166452622) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID166452622
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1ncc(N2CCCC(N3CCN(C4CCOCC4)C3=O)C2)nc1Cl
InChIInChI=1S/C18H23ClN6O2/c19-17-15(10-20)21-11-16(22-17)23-5-1-2-14(12-23)25-7-6-24(18(25)26)13-3-8-27-9-4-13/h11,13-14H,1-9,12H2
InChIKeySKFUBLHSOKKNLK-UHFFFAOYSA-N
XLogP1.89
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-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 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 166452622) is 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1ncc(N2CCCC(N3CCN(C4CCOCC4)C3=O)C2)nc1Cl.
What is the InChIKey of 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is SKFUBLHSOKKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c19-17-15(10-20)21-11-16(22-17)23-5-1-2-14(12-23)25-7-6-24(18(25)26)13-3-8-27-9-4-13/h11,13-14H,1-9,12H2.
What are the key properties of 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 390.88 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 166452622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).