2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole

C21H19N5O3S — CID 92577744

IUPAC2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C21H19N5O3S/c27-30(28,18-10-3-6-15-7-4-12-23-19(15)18)26-13-5-8-16(14-26)20-24-25-21(29-20)17-9-1-2-11-22-17/h1-4,6-7,9-12,16H,5,8,13-14H2/t16-/m1/s1
InChIKeyRHITXKPFHJUAFA-MRXNPFEDSA-N
MW421.48 g/mol
LogP3.25
Rot. Bonds4

About 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole

2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 92577744) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
PubChem CID92577744
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C21H19N5O3S/c27-30(28,18-10-3-6-15-7-4-12-23-19(15)18)26-13-5-8-16(14-26)20-24-25-21(29-20)17-9-1-2-11-22-17/h1-4,6-7,9-12,16H,5,8,13-14H2/t16-/m1/s1
InChIKeyRHITXKPFHJUAFA-MRXNPFEDSA-N
XLogP3.25
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole (CID 92577744) is 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole is O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1.
What is the InChIKey of 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is RHITXKPFHJUAFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-30(28,18-10-3-6-15-7-4-12-23-19(15)18)26-13-5-8-16(14-26)20-24-25-21(29-20)17-9-1-2-11-22-17/h1-4,6-7,9-12,16H,5,8,13-14H2/t16-/m1/s1.
What are the key properties of 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 421.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 92577744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).