N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid

C24H23F3N6O5 — CID 118514191

About N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid

N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118514191) has the molecular formula C24H23F3N6O5 and a molecular weight of 532.48 g/mol. Its IUPAC name is N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 118514191
• Molecular Formula: C24H23F3N6O5
• Molecular Weight: 532.48 g/mol
• Exact Mass: 532.17
• IUPAC Name: N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCOc1ncccc1C1(NC(=O)N2CC3(CNC3)C2)C(=O)Nc2ccc(C#N)cc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H22N6O3.C2HF3O2/c1-2-31-18-15(4-3-7-25-18)22(27-20(30)28-12-21(13-28)10-24-11-21)16-8-14(9-23)5-6-17(16)26-19(22)29;3-2(4,5)1(6)7/h3-8,24H,2,10-13H2,1H3,(H,26,29)(H,27,30);(H,6,7)
• InChIKey: MOWRFWDKFHXUBB-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 156.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.48
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 118514191) is N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid is CCOc1ncccc1C1(NC(=O)N2CC3(CNC3)C2)C(=O)Nc2ccc(C#N)cc21.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is MOWRFWDKFHXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3.C2HF3O2/c1-2-31-18-15(4-3-7-25-18)22(27-20(30)28-12-21(13-28)10-24-11-21)16-8-14(9-23)5-6-17(16)26-19(22)29;3-2(4,5)1(6)7/h3-8,24H,2,10-13H2,1H3,(H,26,29)(H,27,30);(H,6,7).

What are the key properties of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?

N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 532.48 g/mol, XLogP of 1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).