6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine

C21H23N5O2S — CID 95836399

IUPAC6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
SMILESO=S(=O)(CCc1ccccc1)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1
InChIInChI=1S/C21H23N5O2S/c27-29(28,14-11-17-7-2-1-3-8-17)26-13-6-9-19(26)18-15-22-16-21(24-18)25-20-10-4-5-12-23-20/h1-5,7-8,10,12,15-16,19H,6,9,11,13-14H2,(H,23,24,25)/t19-/m1/s1
InChIKeyKPSHVZKKTHQYDY-LJQANCHMSA-N
MW409.52 g/mol
LogP3.32
Rot. Bonds7

About 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine

6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine (PubChem CID 95836399) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
PubChem CID95836399
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
SMILESO=S(=O)(CCc1ccccc1)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1
InChIInChI=1S/C21H23N5O2S/c27-29(28,14-11-17-7-2-1-3-8-17)26-13-6-9-19(26)18-15-22-16-21(24-18)25-20-10-4-5-12-23-20/h1-5,7-8,10,12,15-16,19H,6,9,11,13-14H2,(H,23,24,25)/t19-/m1/s1
InChIKeyKPSHVZKKTHQYDY-LJQANCHMSA-N
XLogP3.32
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836219
4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835808
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
CID 127246933
6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 95813435
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
N-pyridin-2-yl-6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95814623
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
CID 96545725
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659249
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine (CID 95836399) is 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine is O=S(=O)(CCc1ccccc1)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1.
What is the InChIKey of 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine?
The InChIKey is KPSHVZKKTHQYDY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N5O2S/c27-29(28,14-11-17-7-2-1-3-8-17)26-13-6-9-19(26)18-15-22-16-21(24-18)25-20-10-4-5-12-23-20/h1-5,7-8,10,12,15-16,19H,6,9,11,13-14H2,(H,23,24,25)/t19-/m1/s1.
What are the key properties of 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine?
6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine has a molecular weight of 409.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95836399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).