[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

C22H24ClN5O3S — CID 31314718

IUPAC[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C22H24ClN5O3S/c23-17-8-10-18(11-9-17)32(30,31)26-12-3-5-16(15-26)22(29)27-14-4-6-19(27)21-25-24-20-7-1-2-13-28(20)21/h1-2,7-11,13,16,19H,3-6,12,14-15H2/t16-,19-/m1/s1
InChIKeyIAXOQCLLZOFRBF-VQIMIIECSA-N
MW473.99 g/mol
LogP3.15
Rot. Bonds4

About [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 31314718) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID31314718
Molecular FormulaC22H24ClN5O3S
Molecular Weight473.99 g/mol
Exact Mass473.13
IUPAC Name[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C22H24ClN5O3S/c23-17-8-10-18(11-9-17)32(30,31)26-12-3-5-16(15-26)22(29)27-14-4-6-19(27)21-25-24-20-7-1-2-13-28(20)21/h1-2,7-11,13,16,19H,3-6,12,14-15H2/t16-,19-/m1/s1
InChIKeyIAXOQCLLZOFRBF-VQIMIIECSA-N
XLogP3.15
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 26004078
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 32847814
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 51935556
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42581450
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46667151
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 71900155
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
[1-(4-bromobenzoyl)piperidin-4-yl]-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 24516485

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 31314718) is [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1c1nnc2ccccn12.
What is the InChIKey of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IAXOQCLLZOFRBF-VQIMIIECSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c23-17-8-10-18(11-9-17)32(30,31)26-12-3-5-16(15-26)22(29)27-14-4-6-19(27)21-25-24-20-7-1-2-13-28(20)21/h1-2,7-11,13,16,19H,3-6,12,14-15H2/t16-,19-/m1/s1.
What are the key properties of [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 473.99 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 31314718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).