4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol

C20H20F3N3O2 — CID 168920614

About 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol

4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol (PubChem CID 168920614) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol.

Molecular Properties

• Compound Name: 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol
• PubChem CID: 168920614
• Molecular Formula: C20H20F3N3O2
• Molecular Weight: 391.39 g/mol
• Exact Mass: 391.15
• IUPAC Name: 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol
• SMILES: OC1(C2CC3(C2)CN(c2ccc(C(F)(F)F)nc2)C3)CCOc2ccncc21
• InChI: InChI=1S/C20H20F3N3O2/c21-20(22,23)17-2-1-14(9-25-17)26-11-18(12-26)7-13(8-18)19(27)4-6-28-16-3-5-24-10-15(16)19/h1-3,5,9-10,13,27H,4,6-8,11-12H2
• InChIKey: RJZVYFUXWRJEDB-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.39
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol?

The IUPAC name of 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol (CID 168920614) is 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol.

What is the SMILES notation for 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol?

The canonical SMILES for 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol is OC1(C2CC3(C2)CN(c2ccc(C(F)(F)F)nc2)C3)CCOc2ccncc21.

What is the InChIKey of 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol?

The InChIKey is RJZVYFUXWRJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)17-2-1-14(9-25-17)26-11-18(12-26)7-13(8-18)19(27)4-6-28-16-3-5-24-10-15(16)19/h1-3,5,9-10,13,27H,4,6-8,11-12H2.

What are the key properties of 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol?

4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol has a molecular weight of 391.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-2,3-dihydropyrano[3,2-c]pyridin-4-ol is sourced from PubChem (CID 168920614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).