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

C22H25ClN4O2S — CID 95810507

IUPAC2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C22H25ClN4O2S/c1-16-22(15-26(2)25-16)30(28,29)27-12-6-8-18(14-27)21-11-5-9-19(24-21)13-17-7-3-4-10-20(17)23/h3-5,7,9-11,15,18H,6,8,12-14H2,1-2H3/t18-/m1/s1
InChIKeyUCPTUANTYXENNV-GOSISDBHSA-N
MW444.99 g/mol
LogP3.94
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine (PubChem CID 95810507) has the molecular formula C22H25ClN4O2S and a molecular weight of 444.99 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
PubChem CID95810507
Molecular FormulaC22H25ClN4O2S
Molecular Weight444.99 g/mol
Exact Mass444.14
IUPAC Name2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C22H25ClN4O2S/c1-16-22(15-26(2)25-16)30(28,29)27-12-6-8-18(14-27)21-11-5-9-19(24-21)13-17-7-3-4-10-20(17)23/h3-5,7,9-11,15,18H,6,8,12-14H2,1-2H3/t18-/m1/s1
InChIKeyUCPTUANTYXENNV-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-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810510
2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810780
2-[[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-6-methylpyridine
CID 125026192
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-[(2-methoxyphenyl)methyl]-1,3-oxazole
CID 124993357
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249365
N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95810239
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
5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124998057
5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95810255
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine (CID 95810507) is 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine is Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The InChIKey is UCPTUANTYXENNV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25ClN4O2S/c1-16-22(15-26(2)25-16)30(28,29)27-12-6-8-18(14-27)21-11-5-9-19(24-21)13-17-7-3-4-10-20(17)23/h3-5,7,9-11,15,18H,6,8,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
2-[(2-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-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine is sourced from PubChem (CID 95810507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).