6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine

C21H22FN5O2S — CID 95836266

IUPAC6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
SMILESCc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1
InChIInChI=1S/C21H22FN5O2S/c1-14-8-9-16(11-17(14)22)30(28,29)27-10-4-6-19(27)18-12-23-13-21(25-18)26-20-7-3-5-15(2)24-20/h3,5,7-9,11-13,19H,4,6,10H2,1-2H3,(H,24,25,26)/t19-/m1/s1
InChIKeyMGFOGZOUSVYFFU-LJQANCHMSA-N
MW427.51 g/mol
LogP3.90
Rot. Bonds5

About 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine

6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine (PubChem CID 95836266) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
PubChem CID95836266
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC Name6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
SMILESCc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1
InChIInChI=1S/C21H22FN5O2S/c1-14-8-9-16(11-17(14)22)30(28,29)27-10-4-6-19(27)18-12-23-13-21(25-18)26-20-7-3-5-15(2)24-20/h3,5,7-9,11-13,19H,4,6,10H2,1-2H3,(H,24,25,26)/t19-/m1/s1
InChIKeyMGFOGZOUSVYFFU-LJQANCHMSA-N
XLogP3.90
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine with MolForge

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Related Compounds

N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836219
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110265405
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95836194
6-methyl-N-[6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 95835761
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
The IUPAC name of 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine (CID 95836266) is 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
The canonical SMILES for 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine is Cc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1.
What is the InChIKey of 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
The InChIKey is MGFOGZOUSVYFFU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-14-8-9-16(11-17(14)22)30(28,29)27-10-4-6-19(27)18-12-23-13-21(25-18)26-20-7-3-5-15(2)24-20/h3,5,7-9,11-13,19H,4,6,10H2,1-2H3,(H,24,25,26)/t19-/m1/s1.
What are the key properties of 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 95836266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).