2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine

C22H25ClN4O2S — CID 95810510

IUPAC2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C22H25ClN4O2S/c1-16-22(15-26(2)25-16)30(28,29)27-12-4-5-18(14-27)21-7-3-6-20(24-21)13-17-8-10-19(23)11-9-17/h3,6-11,15,18H,4-5,12-14H2,1-2H3/t18-/m1/s1
InChIKeyRIEAIZSOPMGNFQ-GOSISDBHSA-N
MW444.99 g/mol
LogP3.94
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine

2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine (PubChem CID 95810510) has the molecular formula C22H25ClN4O2S and a molecular weight of 444.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
PubChem CID95810510
Molecular FormulaC22H25ClN4O2S
Molecular Weight444.99 g/mol
Exact Mass444.14
IUPAC Name2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C22H25ClN4O2S/c1-16-22(15-26(2)25-16)30(28,29)27-12-4-5-18(14-27)21-7-3-6-20(24-21)13-17-8-10-19(23)11-9-17/h3,6-11,15,18H,4-5,12-14H2,1-2H3/t18-/m1/s1
InChIKeyRIEAIZSOPMGNFQ-GOSISDBHSA-N
XLogP3.94
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.99
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810507
[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110249808
2-[[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-6-methylpyridine
CID 125026192
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97191248
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 124997319
1-[(3R)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95810408
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72926882
4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
CID 95814484
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-[(2-methoxyphenyl)methyl]-1,3-oxazole
CID 124993357

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine (CID 95810510) is 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine is Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The InChIKey is RIEAIZSOPMGNFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25ClN4O2S/c1-16-22(15-26(2)25-16)30(28,29)27-12-4-5-18(14-27)21-7-3-6-20(24-21)13-17-8-10-19(23)11-9-17/h3,6-11,15,18H,4-5,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine has a molecular weight of 444.99 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine is sourced from PubChem (CID 95810510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).