2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine

C16H23N5 — CID 95810841

IUPAC2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H23N5/c1-12(2)15-19-8-10-21(15)16-14(17-6-7-18-16)13-5-4-9-20(3)11-13/h6-8,10,12-13H,4-5,9,11H2,1-3H3/t13-/m1/s1
InChIKeyUYSBSZOTKPWHKY-CYBMUJFWSA-N
MW285.39 g/mol
LogP2.59
Rot. Bonds3

About 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine

2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine (PubChem CID 95810841) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
PubChem CID95810841
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C)C1
InChIInChI=1S/C16H23N5/c1-12(2)15-19-8-10-21(15)16-14(17-6-7-18-16)13-5-4-9-20(3)11-13/h6-8,10,12-13H,4-5,9,11H2,1-3H3/t13-/m1/s1
InChIKeyUYSBSZOTKPWHKY-CYBMUJFWSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The IUPAC name of 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine (CID 95810841) is 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine.
What is the SMILES notation for 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The canonical SMILES for 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine is CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C)C1.
What is the InChIKey of 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
The InChIKey is UYSBSZOTKPWHKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)15-19-8-10-21(15)16-14(17-6-7-18-16)13-5-4-9-20(3)11-13/h6-8,10,12-13H,4-5,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine?
2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylpiperidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine is sourced from PubChem (CID 95810841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).