4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine

C19H19FN4O3S — CID 118675975

IUPAC4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
SMILESCn1cc(S(=O)(=O)N2CCC(Oc3cc(F)ccc3-c3ccncc3)C2)cn1
InChIInChI=1S/C19H19FN4O3S/c1-23-13-17(11-22-23)28(25,26)24-9-6-16(12-24)27-19-10-15(20)2-3-18(19)14-4-7-21-8-5-14/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3
InChIKeyWCSHIWGSLAVIGU-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.46
Rot. Bonds5

About 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine

4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine (PubChem CID 118675975) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine.

Molecular Properties

Compound Name4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
PubChem CID118675975
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
SMILESCn1cc(S(=O)(=O)N2CCC(Oc3cc(F)ccc3-c3ccncc3)C2)cn1
InChIInChI=1S/C19H19FN4O3S/c1-23-13-17(11-22-23)28(25,26)24-9-6-16(12-24)27-19-10-15(20)2-3-18(19)14-4-7-21-8-5-14/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3
InChIKeyWCSHIWGSLAVIGU-UHFFFAOYSA-N
XLogP2.46
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230
4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine
CID 118676072
4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole
CID 126951558
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
3-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-2-pyrrolidin-1-ylpyridine
CID 124888903
4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluorophenyl]pyrimidine
CID 118675923
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
CID 95846072
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine?
The IUPAC name of 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine (CID 118675975) is 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine.
What is the SMILES notation for 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine?
The canonical SMILES for 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine is Cn1cc(S(=O)(=O)N2CCC(Oc3cc(F)ccc3-c3ccncc3)C2)cn1.
What is the InChIKey of 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine?
The InChIKey is WCSHIWGSLAVIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-23-13-17(11-22-23)28(25,26)24-9-6-16(12-24)27-19-10-15(20)2-3-18(19)14-4-7-21-8-5-14/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3.
What are the key properties of 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine?
4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine has a molecular weight of 402.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine is sourced from PubChem (CID 118675975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).