[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C23H28F3N7O2 — CID 171533092

IUPAC[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C(F)(F)F)n4)C3)C1)C2
InChIInChI=1S/C23H28F3N7O2/c1-14-17(18(29-35-14)15-2-3-15)6-30-7-22(8-30)11-32(12-22)20(34)31-9-21(10-31)4-16(5-21)33-13-27-19(28-33)23(24,25)26/h13,15-16H,2-12H2,1H3
InChIKeyWIRLYLCAYAOHGR-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.05
Rot. Bonds4

About [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533092) has the molecular formula C23H28F3N7O2 and a molecular weight of 491.52 g/mol. Its IUPAC name is [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID171533092
Molecular FormulaC23H28F3N7O2
Molecular Weight491.52 g/mol
Exact Mass491.23
IUPAC Name[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C(F)(F)F)n4)C3)C1)C2
InChIInChI=1S/C23H28F3N7O2/c1-14-17(18(29-35-14)15-2-3-15)6-30-7-22(8-30)11-32(12-22)20(34)31-9-21(10-31)4-16(5-21)33-13-27-19(28-33)23(24,25)26/h13,15-16H,2-12H2,1H3
InChIKeyWIRLYLCAYAOHGR-UHFFFAOYSA-N
XLogP3.05
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-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 [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 171533092) is [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C(F)(F)F)n4)C3)C1)C2.
What is the InChIKey of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is WIRLYLCAYAOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O2/c1-14-17(18(29-35-14)15-2-3-15)6-30-7-22(8-30)11-32(12-22)20(34)31-9-21(10-31)4-16(5-21)33-13-27-19(28-33)23(24,25)26/h13,15-16H,2-12H2,1H3.
What are the key properties of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 491.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).