6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine

C22H23FN4O3S — CID 95835623

IUPAC6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1
InChIInChI=1S/C22H23FN4O3S/c1-15-6-4-12-24-22(15)26-21-9-3-7-17(25-21)18-8-5-13-27(18)31(28,29)20-14-16(23)10-11-19(20)30-2/h3-4,6-7,9-12,14,18H,5,8,13H2,1-2H3,(H,24,25,26)/t18-/m1/s1
InChIKeyWQQHNNQSZSFHGG-GOSISDBHSA-N
MW442.52 g/mol
LogP4.20
Rot. Bonds6

About 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine

6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 95835623) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID95835623
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1
InChIInChI=1S/C22H23FN4O3S/c1-15-6-4-12-24-22(15)26-21-9-3-7-17(25-21)18-8-5-13-27(18)31(28,29)20-14-16(23)10-11-19(20)30-2/h3-4,6-7,9-12,14,18H,5,8,13H2,1-2H3,(H,24,25,26)/t18-/m1/s1
InChIKeyWQQHNNQSZSFHGG-GOSISDBHSA-N
XLogP4.20
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine with MolForge

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Related Compounds

6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835763
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-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093714
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124995303
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
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-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine (CID 95835623) is 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine is COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1.
What is the InChIKey of 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is WQQHNNQSZSFHGG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-15-6-4-12-24-22(15)26-21-9-3-7-17(25-21)18-8-5-13-27(18)31(28,29)20-14-16(23)10-11-19(20)30-2/h3-4,6-7,9-12,14,18H,5,8,13H2,1-2H3,(H,24,25,26)/t18-/m1/s1.
What are the key properties of 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine?
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 442.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 95835623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).