(1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid

C25H26F3N3O5 — CID 155864082

About (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid

(1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155864082) has the molecular formula C25H26F3N3O5 and a molecular weight of 505.49 g/mol. Its IUPAC name is (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155864082
• Molecular Formula: C25H26F3N3O5
• Molecular Weight: 505.49 g/mol
• Exact Mass: 505.18
• IUPAC Name: (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: Cn1ccc2cc(C(=O)N3CC4(C3)OCCC4CCOc3ccccn3)ccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H25N3O3.C2HF3O2/c1-25-11-7-17-14-18(5-6-20(17)25)22(27)26-15-23(16-26)19(9-13-29-23)8-12-28-21-4-2-3-10-24-21;3-2(4,5)1(6)7/h2-7,10-11,14,19H,8-9,12-13,15-16H2,1H3;(H,6,7)
• InChIKey: DVZRKOZLCUMYSM-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 93.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.49
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155864082) is (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is Cn1ccc2cc(C(=O)N3CC4(C3)OCCC4CCOc3ccccn3)ccc21.O=C(O)C(F)(F)F.

What is the InChIKey of (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is DVZRKOZLCUMYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C2HF3O2/c1-25-11-7-17-14-18(5-6-20(17)25)22(27)26-15-23(16-26)19(9-13-29-23)8-12-28-21-4-2-3-10-24-21;3-2(4,5)1(6)7/h2-7,10-11,14,19H,8-9,12-13,15-16H2,1H3;(H,6,7).

What are the key properties of (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?

(1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 505.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).