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

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Related Compounds

2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
CID 110257699
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
4-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110112210
2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
CID 125021370
5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole
CID 110130955
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124981650
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
4-[3-[[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125009289
1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
CID 127245813
[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125023073

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).