1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C26H22F4N6O4S — CID 66760149

About 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 66760149) has the molecular formula C26H22F4N6O4S and a molecular weight of 590.56 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 66760149
• Molecular Formula: C26H22F4N6O4S
• Molecular Weight: 590.56 g/mol
• Exact Mass: 590.14
• IUPAC Name: 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)N1CCC(n2cc(-c3ncc(N)c4oc(-c5csc6ccnc(F)c56)cc34)cn2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H21FN6O2S.C2HF3O2/c1-13(32)30-6-3-15(4-7-30)31-11-14(9-29-31)22-16-8-19(33-23(16)18(26)10-28-22)17-12-34-20-2-5-27-24(25)21(17)20;3-2(4,5)1(6)7/h2,5,8-12,15H,3-4,6-7,26H2,1H3;(H,6,7)
• InChIKey: ZGNUEOHDLGQLRC-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 140.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.56
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 66760149) is 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC(n2cc(-c3ncc(N)c4oc(-c5csc6ccnc(F)c56)cc34)cn2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?

The InChIKey is ZGNUEOHDLGQLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S.C2HF3O2/c1-13(32)30-6-3-15(4-7-30)31-11-14(9-29-31)22-16-8-19(33-23(16)18(26)10-28-22)17-12-34-20-2-5-27-24(25)21(17)20;3-2(4,5)1(6)7/h2,5,8-12,15H,3-4,6-7,26H2,1H3;(H,6,7).

What are the key properties of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?

1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 590.56 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66760149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).