2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide

C18H24N6O3S — CID 155681960

IUPAC2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)CC2c1nc(-c2ccnc(N3CCCC3)c2)no1
InChIInChI=1S/C18H24N6O3S/c19-28(25,26)24-9-4-18(5-10-24)12-14(18)17-21-16(22-27-17)13-3-6-20-15(11-13)23-7-1-2-8-23/h3,6,11,14H,1-2,4-5,7-10,12H2,(H2,19,25,26)
InChIKeyKXXJQYAAZLXCJU-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.50
Rot. Bonds4

About 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide

2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681960) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681960
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)CC2c1nc(-c2ccnc(N3CCCC3)c2)no1
InChIInChI=1S/C18H24N6O3S/c19-28(25,26)24-9-4-18(5-10-24)12-14(18)17-21-16(22-27-17)13-3-6-20-15(11-13)23-7-1-2-8-23/h3,6,11,14H,1-2,4-5,7-10,12H2,(H2,19,25,26)
InChIKeyKXXJQYAAZLXCJU-UHFFFAOYSA-N
XLogP1.50
TPSA118.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide with MolForge

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Related Compounds

4-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
CID 53133392
2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 86806468
5-cyclopropyl-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 155952563
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
3-(3-chlorophenyl)-5-[(2S)-6-(3-fluorophenyl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole
CID 95311418
5-(3,4-difluorophenyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 99033707
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294
N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841555
1-[4-[2-[3-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75614802
(4-cyclohexylpiperazin-1-yl)-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53175169
1-[4-[4-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614809

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681960) is 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)CC2c1nc(-c2ccnc(N3CCCC3)c2)no1.
What is the InChIKey of 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is KXXJQYAAZLXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c19-28(25,26)24-9-4-18(5-10-24)12-14(18)17-21-16(22-27-17)13-3-6-20-15(11-13)23-7-1-2-8-23/h3,6,11,14H,1-2,4-5,7-10,12H2,(H2,19,25,26).
What are the key properties of 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 404.50 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).