(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide

C17H21F2N5O4S — CID 155681857

IUPAC(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCC(C)Oc1cc(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)ccn1
InChIInChI=1S/C17H21F2N5O4S/c1-10(2)27-12-9-11(3-6-21-12)15-22-14(23-28-15)13-16(17(13,18)19)4-7-24(8-5-16)29(20,25)26/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,20,25,26)/t13-/m0/s1
InChIKeyFDFKUPVKHMKJRC-ZDUSSCGKSA-N
MW429.45 g/mol
LogP1.94
Rot. Bonds5

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

(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681857) has the molecular formula C17H21F2N5O4S and a molecular weight of 429.45 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681857
Molecular FormulaC17H21F2N5O4S
Molecular Weight429.45 g/mol
Exact Mass429.13
IUPAC Name(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCC(C)Oc1cc(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)ccn1
InChIInChI=1S/C17H21F2N5O4S/c1-10(2)27-12-9-11(3-6-21-12)15-22-14(23-28-15)13-16(17(13,18)19)4-7-24(8-5-16)29(20,25)26/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,20,25,26)/t13-/m0/s1
InChIKeyFDFKUPVKHMKJRC-ZDUSSCGKSA-N
XLogP1.94
TPSA124.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021
(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682050
(1R)-1-[5-(3-cyclopropyl-1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681856
(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
CID 156736160
(1R)-1-[5-[1-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682055
5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 155600976
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681912
2-(2-propan-2-yloxy-4-pyridinyl)-1,3-oxazole
CID 123773885
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide
CID 126769441
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
(1R)-1-[3-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682012
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 155681898

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681857) is (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is CC(C)Oc1cc(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)ccn1.
What is the InChIKey of (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is FDFKUPVKHMKJRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21F2N5O4S/c1-10(2)27-12-9-11(3-6-21-12)15-22-14(23-28-15)13-16(17(13,18)19)4-7-24(8-5-16)29(20,25)26/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,20,25,26)/t13-/m0/s1.
What are the key properties of (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
(1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 429.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).