2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine

C19H19FN4O3S — CID 172893544

IUPAC2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC(Oc2cccc(F)n2)CC1
InChIInChI=1S/C19H19FN4O3S/c20-18-3-1-4-19(22-18)27-16-9-13-23(14-10-16)28(25,26)17-7-5-15(6-8-17)24-12-2-11-21-24/h1-8,11-12,16H,9-10,13-14H2
InChIKeyKCKCTMRBSUPYLB-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.64
Rot. Bonds5

About 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine

2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 172893544) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID172893544
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC(Oc2cccc(F)n2)CC1
InChIInChI=1S/C19H19FN4O3S/c20-18-3-1-4-19(22-18)27-16-9-13-23(14-10-16)28(25,26)17-7-5-15(6-8-17)24-12-2-11-21-24/h1-8,11-12,16H,9-10,13-14H2
InChIKeyKCKCTMRBSUPYLB-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921
2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine
CID 172893200
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163360
8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
CID 171701848
7-phenyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 119104382
4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
CID 59274788
2-cyclopentyloxy-6-fluoropyridine
CID 61227788
N-[4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71799623
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 171704720

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine (CID 172893544) is 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine is O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC(Oc2cccc(F)n2)CC1.
What is the InChIKey of 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is KCKCTMRBSUPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c20-18-3-1-4-19(22-18)27-16-9-13-23(14-10-16)28(25,26)17-7-5-15(6-8-17)24-12-2-11-21-24/h1-8,11-12,16H,9-10,13-14H2.
What are the key properties of 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 402.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 172893544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).