N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine

C22H23FN4O3S — CID 110252228

IUPACN-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2ccc(Nc3ccc(F)cn3)cn2)cc1C
InChIInChI=1S/C22H23FN4O3S/c1-15-12-18(7-9-21(15)30-2)31(28,29)27-11-3-4-20(27)19-8-6-17(14-24-19)26-22-10-5-16(23)13-25-22/h5-10,12-14,20H,3-4,11H2,1-2H3,(H,25,26)
InChIKeyLPXMWOXLLVHTEH-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.20
Rot. Bonds6

About N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine

N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine (PubChem CID 110252228) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
PubChem CID110252228
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2ccc(Nc3ccc(F)cn3)cn2)cc1C
InChIInChI=1S/C22H23FN4O3S/c1-15-12-18(7-9-21(15)30-2)31(28,29)27-11-3-4-20(27)19-8-6-17(14-24-19)26-22-10-5-16(23)13-25-22/h5-10,12-14,20H,3-4,11H2,1-2H3,(H,25,26)
InChIKeyLPXMWOXLLVHTEH-UHFFFAOYSA-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

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 95813512
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564730
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
3-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 92624870
4-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 47001516
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine (CID 110252228) is N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine is COc1ccc(S(=O)(=O)N2CCCC2c2ccc(Nc3ccc(F)cn3)cn2)cc1C.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
The InChIKey is LPXMWOXLLVHTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-15-12-18(7-9-21(15)30-2)31(28,29)27-11-3-4-20(27)19-8-6-17(14-24-19)26-22-10-5-16(23)13-25-22/h5-10,12-14,20H,3-4,11H2,1-2H3,(H,25,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-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 N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine is sourced from PubChem (CID 110252228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).