(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide

C21H25N5O3S — CID 155681912

IUPAC(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1cn(C2CC2)c2ccc(-c3nc([C@@H]4CC45CCN(S(N)(=O)=O)CC5)no3)cc12
InChIInChI=1S/C21H25N5O3S/c1-13-12-26(15-3-4-15)18-5-2-14(10-16(13)18)20-23-19(24-29-20)17-11-21(17)6-8-25(9-7-21)30(22,27)28/h2,5,10,12,15,17H,3-4,6-9,11H2,1H3,(H2,22,27,28)/t17-/m0/s1
InChIKeyWTVISLUKORUPHX-KRWDZBQOSA-N
MW427.53 g/mol
LogP3.11
Rot. Bonds4

About (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide

(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681912) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681912
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESCc1cn(C2CC2)c2ccc(-c3nc([C@@H]4CC45CCN(S(N)(=O)=O)CC5)no3)cc12
InChIInChI=1S/C21H25N5O3S/c1-13-12-26(15-3-4-15)18-5-2-14(10-16(13)18)20-23-19(24-29-20)17-11-21(17)6-8-25(9-7-21)30(22,27)28/h2,5,10,12,15,17H,3-4,6-9,11H2,1H3,(H2,22,27,28)/t17-/m0/s1
InChIKeyWTVISLUKORUPHX-KRWDZBQOSA-N
XLogP3.11
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682094
(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-[5-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681857
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681960
(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
3-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 53130697
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 115335909
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136889877
5-(3-methylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075322
3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 59657786
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681912) is (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is Cc1cn(C2CC2)c2ccc(-c3nc([C@@H]4CC45CCN(S(N)(=O)=O)CC5)no3)cc12.
What is the InChIKey of (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is WTVISLUKORUPHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-13-12-26(15-3-4-15)18-5-2-14(10-16(13)18)20-23-19(24-29-20)17-11-21(17)6-8-25(9-7-21)30(22,27)28/h2,5,10,12,15,17H,3-4,6-9,11H2,1H3,(H2,22,27,28)/t17-/m0/s1.
What are the key properties of (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
(2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(1-cyclopropyl-3-methylindol-5-yl)-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).