(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

C17H19F5N6O3S — CID 155682055

IUPAC(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
SMILESCc1c(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)c(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C17H19F5N6O3S/c1-8-10(12(17(20,21)22)25-28(8)9-2-3-9)14-24-13(26-31-14)11-15(16(11,18)19)4-6-27(7-5-15)32(23,29)30/h9,11H,2-7H2,1H3,(H2,23,29,30)/t11-/m0/s1
InChIKeyBDGSPCJZPOWSAI-NSHDSACASA-N
MW482.44 g/mol
LogP2.61
Rot. Bonds4

About (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

(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 (PubChem CID 155682055) has the molecular formula C17H19F5N6O3S and a molecular weight of 482.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155682055
Molecular FormulaC17H19F5N6O3S
Molecular Weight482.44 g/mol
Exact Mass482.12
IUPAC Name(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
SMILESCc1c(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)c(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C17H19F5N6O3S/c1-8-10(12(17(20,21)22)25-28(8)9-2-3-9)14-24-13(26-31-14)11-15(16(11,18)19)4-6-27(7-5-15)32(23,29)30/h9,11H,2-7H2,1H3,(H2,23,29,30)/t11-/m0/s1
InChIKeyBDGSPCJZPOWSAI-NSHDSACASA-N
XLogP2.61
TPSA120.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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)-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
(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-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681821
(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
(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682094
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 155681877
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681912
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
CID 118198992
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c(-c2nc([C@@H]3C(F)(F)C34CCN(S(N)(=O)=O)CC4)no2)c(C(F)(F)F)nn1C1CC1.
What is the InChIKey of (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?
The InChIKey is BDGSPCJZPOWSAI-NSHDSACASA-N. The full InChI is InChI=1S/C17H19F5N6O3S/c1-8-10(12(17(20,21)22)25-28(8)9-2-3-9)14-24-13(26-31-14)11-15(16(11,18)19)4-6-27(7-5-15)32(23,29)30/h9,11H,2-7H2,1H3,(H2,23,29,30)/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 482.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155682055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).