6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid

C33H34F3N3O3 — CID 162491415

About 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid

6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid (PubChem CID 162491415) has the molecular formula C33H34F3N3O3 and a molecular weight of 577.65 g/mol. Its IUPAC name is 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid
• PubChem CID: 162491415
• Molecular Formula: C33H34F3N3O3
• Molecular Weight: 577.65 g/mol
• Exact Mass: 577.26
• IUPAC Name: 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid
• SMILES: O=C(O)c1cc(C(F)(F)F)c2cc(N3CCC4(CC3)CC(=Cc3c(C(C5CC5)C5CC5)noc3C3CC3)C4)ccc2n1
• InChI: InChI=1S/C33H34F3N3O3/c34-33(35,36)25-15-27(31(40)41)37-26-8-7-22(14-23(25)26)39-11-9-32(10-12-39)16-18(17-32)13-24-29(38-42-30(24)21-5-6-21)28(19-1-2-19)20-3-4-20/h7-8,13-15,19-21,28H,1-6,9-12,16-17H2,(H,40,41)
• InChIKey: UUHSCJPNMGSVOR-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 79.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.65
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid?

The IUPAC name of 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid (CID 162491415) is 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid.

What is the SMILES notation for 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid?

The canonical SMILES for 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)c2cc(N3CCC4(CC3)CC(=Cc3c(C(C5CC5)C5CC5)noc3C3CC3)C4)ccc2n1.

What is the InChIKey of 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid?

The InChIKey is UUHSCJPNMGSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N3O3/c34-33(35,36)25-15-27(31(40)41)37-26-8-7-22(14-23(25)26)39-11-9-32(10-12-39)16-18(17-32)13-24-29(38-42-30(24)21-5-6-21)28(19-1-2-19)20-3-4-20/h7-8,13-15,19-21,28H,1-6,9-12,16-17H2,(H,40,41).

What are the key properties of 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid?

6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid has a molecular weight of 577.65 g/mol, XLogP of 8.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[5-cyclopropyl-3-(dicyclopropylmethyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 162491415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).