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

C24H24F3N3O5 — CID 155868554

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

1H-indol-2-yl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155868554) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is 1H-indol-2-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: 1H-indol-2-yl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155868554
• Molecular Formula: C24H24F3N3O5
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.17
• IUPAC Name: 1H-indol-2-yl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1cc2ccccc2[nH]1)N1CC2(C1)OCCC2CCOc1ccccn1
• InChI: InChI=1S/C22H23N3O3.C2HF3O2/c26-21(19-13-16-5-1-2-6-18(16)24-19)25-14-22(15-25)17(9-12-28-22)8-11-27-20-7-3-4-10-23-20;3-2(4,5)1(6)7/h1-7,10,13,17,24H,8-9,11-12,14-15H2;(H,6,7)
• InChIKey: HHCCUAMQSHBADE-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 104.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-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 1H-indol-2-yl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155868554) is 1H-indol-2-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 1H-indol-2-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 1H-indol-2-yl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cc2ccccc2[nH]1)N1CC2(C1)OCCC2CCOc1ccccn1.

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

The InChIKey is HHCCUAMQSHBADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.C2HF3O2/c26-21(19-13-16-5-1-2-6-18(16)24-19)25-14-22(15-25)17(9-12-28-22)8-11-27-20-7-3-4-10-23-20;3-2(4,5)1(6)7/h1-7,10,13,17,24H,8-9,11-12,14-15H2;(H,6,7).

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

1H-indol-2-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 491.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-2-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 155868554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).