4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid

C32H33F3N8O5 — CID 69298356

About 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid

4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 69298356) has the molecular formula C32H33F3N8O5 and a molecular weight of 666.66 g/mol. Its IUPAC name is 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 69298356
• Molecular Formula: C32H33F3N8O5
• Molecular Weight: 666.66 g/mol
• Exact Mass: 666.25
• IUPAC Name: 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCc3c[nH]c4ccc(OC)cc34)c21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C30H32N8O3.C2HF3O2/c1-3-38-28-24(40-15-7-13-32-14-12-20-17-33-23-11-10-21(39-2)16-22(20)23)18-34-25(19-8-5-4-6-9-19)26(28)35-30(38)27-29(31)37-41-36-27;3-2(4,5)1(6)7/h4-6,8-11,16-18,32-33H,3,7,12-15H2,1-2H3,(H2,31,37);(H,6,7)
• InChIKey: FOIXNQSDBDUURV-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 179.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	666.66
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid (CID 69298356) is 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCc3c[nH]c4ccc(OC)cc34)c21.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?

The InChIKey is FOIXNQSDBDUURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3.C2HF3O2/c1-3-38-28-24(40-15-7-13-32-14-12-20-17-33-23-11-10-21(39-2)16-22(20)23)18-34-25(19-8-5-4-6-9-19)26(28)35-30(38)27-29(31)37-41-36-27;3-2(4,5)1(6)7/h4-6,8-11,16-18,32-33H,3,7,12-15H2,1-2H3,(H2,31,37);(H,6,7).

What are the key properties of 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?

4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 666.66 g/mol, XLogP of 5.47, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69298356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).