N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine

C22H25N5O3S — CID 110265405

IUPACN-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2c2cccc(Nc3cnccn3)n2)cc1C
InChIInChI=1S/C22H25N5O3S/c1-15-13-20(16(2)12-19(15)30-3)31(28,29)27-11-5-7-18(27)17-6-4-8-21(25-17)26-22-14-23-9-10-24-22/h4,6,8-10,12-14,18H,5,7,11H2,1-3H3,(H,24,25,26)
InChIKeyJTLSXYWZTBXWNW-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.77
Rot. Bonds6

About N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine

N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 110265405) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
PubChem CID110265405
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2c2cccc(Nc3cnccn3)n2)cc1C
InChIInChI=1S/C22H25N5O3S/c1-15-13-20(16(2)12-19(15)30-3)31(28,29)27-11-5-7-18(27)17-6-4-8-21(25-17)26-22-14-23-9-10-24-22/h4,6,8-10,12-14,18H,5,7,11H2,1-3H3,(H,24,25,26)
InChIKeyJTLSXYWZTBXWNW-UHFFFAOYSA-N
XLogP3.77
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine with MolForge

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Related Compounds

6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
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-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836266
2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349013

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine (CID 110265405) is N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine is COc1cc(C)c(S(=O)(=O)N2CCCC2c2cccc(Nc3cnccn3)n2)cc1C.
What is the InChIKey of N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is JTLSXYWZTBXWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15-13-20(16(2)12-19(15)30-3)31(28,29)27-11-5-7-18(27)17-6-4-8-21(25-17)26-22-14-23-9-10-24-22/h4,6,8-10,12-14,18H,5,7,11H2,1-3H3,(H,24,25,26).
What are the key properties of N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 439.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 110265405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).