2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C22H23FN4O3S — CID 92563455

IUPAC2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cnccc1-c1cn[nH]c1[C@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O3S/c1-15-12-24-10-9-18(15)19-13-25-26-22(19)20-4-2-3-11-27(20)21(28)14-31(29,30)17-7-5-16(23)6-8-17/h5-10,12-13,20H,2-4,11,14H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeyOXAFWVDEMAVBBG-HXUWFJFHSA-N
MW442.52 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 92563455) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID92563455
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cnccc1-c1cn[nH]c1[C@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O3S/c1-15-12-24-10-9-18(15)19-13-25-26-22(19)20-4-2-3-11-27(20)21(28)14-31(29,30)17-7-5-16(23)6-8-17/h5-10,12-13,20H,2-4,11,14H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeyOXAFWVDEMAVBBG-HXUWFJFHSA-N
XLogP3.45
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 110218048
2-(azepan-1-yl)-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 92563449
2-(2-methoxyphenyl)-1-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 92563469
1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 92553793
3-[4-(dimethylamino)phenyl]-1-[2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110218110
(2-methoxy-3-methylphenyl)-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92561339
2-(2-methoxy-4-methylphenoxy)-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92556328
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 92588318
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110253960
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 92563455) is 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is Cc1cnccc1-c1cn[nH]c1[C@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is OXAFWVDEMAVBBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-15-12-24-10-9-18(15)19-13-25-26-22(19)20-4-2-3-11-27(20)21(28)14-31(29,30)17-7-5-16(23)6-8-17/h5-10,12-13,20H,2-4,11,14H2,1H3,(H,25,26)/t20-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 442.52 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92563455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).