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

C20H18N6O3S — CID 92572274

IUPAC2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C20H18N6O3S/c27-30(28,17-7-1-4-14-5-2-8-23-18(14)17)26-11-3-6-15(13-26)19-24-25-20(29-19)16-12-21-9-10-22-16/h1-2,4-5,7-10,12,15H,3,6,11,13H2/t15-/m0/s1
InChIKeyGMOPBHNFKSSOPW-HNNXBMFYSA-N
MW422.47 g/mol
LogP2.64
Rot. Bonds4

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

2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 92572274) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
PubChem CID92572274
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C20H18N6O3S/c27-30(28,17-7-1-4-14-5-2-8-23-18(14)17)26-11-3-6-15(13-26)19-24-25-20(29-19)16-12-21-9-10-22-16/h1-2,4-5,7-10,12,15H,3,6,11,13H2/t15-/m0/s1
InChIKeyGMOPBHNFKSSOPW-HNNXBMFYSA-N
XLogP2.64
TPSA114.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92577744
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 91627937
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole (CID 92572274) is 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole is O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1.
What is the InChIKey of 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is GMOPBHNFKSSOPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c27-30(28,17-7-1-4-14-5-2-8-23-18(14)17)26-11-3-6-15(13-26)19-24-25-20(29-19)16-12-21-9-10-22-16/h1-2,4-5,7-10,12,15H,3,6,11,13H2/t15-/m0/s1.
What are the key properties of 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole?
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 422.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 92572274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).