(1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid

C26H28F3N3O5 — CID 155861067

About (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid

(1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155861067) has the molecular formula C26H28F3N3O5 and a molecular weight of 519.52 g/mol. Its IUPAC name is (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155861067
• Molecular Formula: C26H28F3N3O5
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.20
• IUPAC Name: (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H27N3O3.C2HF3O2/c1-17-4-3-5-20(25-17)14-29-21-9-11-30-24(13-21)15-27(16-24)23(28)19-6-7-22-18(12-19)8-10-26(22)2;3-2(4,5)1(6)7/h3-8,10,12,21H,9,11,13-16H2,1-2H3;(H,6,7)
• InChIKey: UUIBKZKSRPOWFJ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 93.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155861067) is (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid is Cc1cccc(COC2CCOC3(C2)CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1.O=C(O)C(F)(F)F.

What is the InChIKey of (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is UUIBKZKSRPOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.C2HF3O2/c1-17-4-3-5-20(25-17)14-29-21-9-11-30-24(13-21)15-27(16-24)23(28)19-6-7-22-18(12-19)8-10-26(22)2;3-2(4,5)1(6)7/h3-8,10,12,21H,9,11,13-16H2,1-2H3;(H,6,7).

What are the key properties of (1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid?

(1-methylindol-5-yl)-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 519.52 g/mol, XLogP of 4.11, 4 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-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).