2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine

C20H29N5 — CID 95815785

IUPAC2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1cncc([C@H]2CCCN(C3CCCC3)C2)n1
InChIInChI=1S/C20H29N5/c1-15(2)20-22-9-11-25(20)19-13-21-12-18(23-19)16-6-5-10-24(14-16)17-7-3-4-8-17/h9,11-13,15-17H,3-8,10,14H2,1-2H3/t16-/m0/s1
InChIKeyVFQCJRQDTKIZSR-INIZCTEOSA-N
MW339.49 g/mol
LogP3.91
Rot. Bonds4

About 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine

2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine (PubChem CID 95815785) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine
PubChem CID95815785
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1cncc([C@H]2CCCN(C3CCCC3)C2)n1
InChIInChI=1S/C20H29N5/c1-15(2)20-22-9-11-25(20)19-13-21-12-18(23-19)16-6-5-10-24(14-16)17-7-3-4-8-17/h9,11-13,15-17H,3-8,10,14H2,1-2H3/t16-/m0/s1
InChIKeyVFQCJRQDTKIZSR-INIZCTEOSA-N
XLogP3.91
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine 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-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine?
The IUPAC name of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine (CID 95815785) is 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine.
What is the SMILES notation for 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine?
The canonical SMILES for 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine is CC(C)c1nccn1-c1cncc([C@H]2CCCN(C3CCCC3)C2)n1.
What is the InChIKey of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine?
The InChIKey is VFQCJRQDTKIZSR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5/c1-15(2)20-22-9-11-25(20)19-13-21-12-18(23-19)16-6-5-10-24(14-16)17-7-3-4-8-17/h9,11-13,15-17H,3-8,10,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine?
2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine has a molecular weight of 339.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine is sourced from PubChem (CID 95815785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).