2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine

C14H19N5O2S — CID 124968603

IUPAC2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
SMILESCn1ccnc1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O2S/c1-18-8-6-17-14(18)13-12(15-4-5-16-13)9-11-3-7-19(10-11)22(2,20)21/h4-6,8,11H,3,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyJCHZQMKKIQBNJK-LLVKDONJSA-N
MW321.41 g/mol
LogP0.70
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine

2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine (PubChem CID 124968603) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
PubChem CID124968603
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
SMILESCn1ccnc1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O2S/c1-18-8-6-17-14(18)13-12(15-4-5-16-13)9-11-3-7-19(10-11)22(2,20)21/h4-6,8,11H,3,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyJCHZQMKKIQBNJK-LLVKDONJSA-N
XLogP0.70
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]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-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine (CID 124968603) is 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine is Cn1ccnc1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine?
The InChIKey is JCHZQMKKIQBNJK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-8-6-17-14(18)13-12(15-4-5-16-13)9-11-3-7-19(10-11)22(2,20)21/h4-6,8,11H,3,7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine?
2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine has a molecular weight of 321.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 124968603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).