[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C26H31N5O2 — CID 166083988

IUPAC[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1nc(-c2ccc(C(=O)N3CC4(CC(n5ccc(C6(C)CC6)n5)C4)C3)cc2)no1
InChIInChI=1S/C26H31N5O2/c1-24(2,3)23-27-21(29-33-23)17-5-7-18(8-6-17)22(32)30-15-26(16-30)13-19(14-26)31-12-9-20(28-31)25(4)10-11-25/h5-9,12,19H,10-11,13-16H2,1-4H3
InChIKeyYVAUFDMOBVSIAC-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.76
Rot. Bonds4

About [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 166083988) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID166083988
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1nc(-c2ccc(C(=O)N3CC4(CC(n5ccc(C6(C)CC6)n5)C4)C3)cc2)no1
InChIInChI=1S/C26H31N5O2/c1-24(2,3)23-27-21(29-33-23)17-5-7-18(8-6-17)22(32)30-15-26(16-30)13-19(14-26)31-12-9-20(28-31)25(4)10-11-25/h5-9,12,19H,10-11,13-16H2,1-4H3
InChIKeyYVAUFDMOBVSIAC-UHFFFAOYSA-N
XLogP4.76
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 166083988) is [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is CC(C)(C)c1nc(-c2ccc(C(=O)N3CC4(CC(n5ccc(C6(C)CC6)n5)C4)C3)cc2)no1.
What is the InChIKey of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is YVAUFDMOBVSIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-24(2,3)23-27-21(29-33-23)17-5-7-18(8-6-17)22(32)30-15-26(16-30)13-19(14-26)31-12-9-20(28-31)25(4)10-11-25/h5-9,12,19H,10-11,13-16H2,1-4H3.
What are the key properties of [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 445.57 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 166083988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).