(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

C17H22F2N6O3S — CID 155681856

IUPAC(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
SMILESCCn1cc(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)c(C2CC2)n1
InChIInChI=1S/C17H22F2N6O3S/c1-2-24-9-11(12(22-24)10-3-4-10)15-21-14(23-28-15)13-16(17(13,18)19)5-7-25(8-6-16)29(20,26)27/h9-10,13H,2-8H2,1H3,(H2,20,26,27)/t13-/m0/s1
InChIKeyPCROZBRIMPNNRY-ZDUSSCGKSA-N
MW428.47 g/mol
LogP1.85
Rot. Bonds5

About (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

(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 (PubChem CID 155681856) has the molecular formula C17H22F2N6O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155681856
Molecular FormulaC17H22F2N6O3S
Molecular Weight428.47 g/mol
Exact Mass428.14
IUPAC Name(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
SMILESCCn1cc(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)c(C2CC2)n1
InChIInChI=1S/C17H22F2N6O3S/c1-2-24-9-11(12(22-24)10-3-4-10)15-21-14(23-28-15)13-16(17(13,18)19)5-7-25(8-6-16)29(20,26)27/h9-10,13H,2-8H2,1H3,(H2,20,26,27)/t13-/m0/s1
InChIKeyPCROZBRIMPNNRY-ZDUSSCGKSA-N
XLogP1.85
TPSA120.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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
(2R)-2-[5-(3-cyclopropyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681989
(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
(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-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681952
(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682094
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681912
(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681807
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91905638
3-cyclohexyl-1-ethylpyrazol-4-amine
CID 83217071
3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine
CID 112712761

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCn1cc(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)c(C2CC2)n1.
What is the InChIKey of (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?
The InChIKey is PCROZBRIMPNNRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F2N6O3S/c1-2-24-9-11(12(22-24)10-3-4-10)15-21-14(23-28-15)13-16(17(13,18)19)5-7-25(8-6-16)29(20,26)27/h9-10,13H,2-8H2,1H3,(H2,20,26,27)/t13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 428.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155681856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).