2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine

C20H21FN4O2S — CID 95810775

IUPAC2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
SMILESO=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C20H21FN4O2S/c21-17-6-1-4-15(10-17)11-18-7-2-8-20(24-18)16-5-3-9-25(14-16)28(26,27)19-12-22-23-13-19/h1-2,4,6-8,10,12-13,16H,3,5,9,11,14H2,(H,22,23)/t16-/m0/s1
InChIKeyIZEBZSGOWFBRDF-INIZCTEOSA-N
MW400.48 g/mol
LogP3.10
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine

2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine (PubChem CID 95810775) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
PubChem CID95810775
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
SMILESO=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C20H21FN4O2S/c21-17-6-1-4-15(10-17)11-18-7-2-8-20(24-18)16-5-3-9-25(14-16)28(26,27)19-12-22-23-13-19/h1-2,4,6-8,10,12-13,16H,3,5,9,11,14H2,(H,22,23)/t16-/m0/s1
InChIKeyIZEBZSGOWFBRDF-INIZCTEOSA-N
XLogP3.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110250016
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95810773
2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810780
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine (CID 95810775) is 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine is O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
The InChIKey is IZEBZSGOWFBRDF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c21-17-6-1-4-15(10-17)11-18-7-2-8-20(24-18)16-5-3-9-25(14-16)28(26,27)19-12-22-23-13-19/h1-2,4,6-8,10,12-13,16H,3,5,9,11,14H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine?
2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine has a molecular weight of 400.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95810775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).