3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)

C26H22F6N6O6S — CID 86662418

About 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)

3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 86662418) has the molecular formula C26H22F6N6O6S and a molecular weight of 660.55 g/mol. Its IUPAC name is 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 86662418
• Molecular Formula: C26H22F6N6O6S
• Molecular Weight: 660.55 g/mol
• Exact Mass: 660.12
• IUPAC Name: 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)
• SMILES: Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3csc4c[nH]c(=O)cc34)oc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H20N6O2S.2C2HF3O2/c23-22-21-15(5-18(30-21)17-11-31-19-9-25-20(29)6-14(17)19)16(8-26-22)12-7-27-28(10-12)13-1-3-24-4-2-13;2*3-2(4,5)1(6)7/h5-11,13,24H,1-4H2,(H2,23,26)(H,25,29);2*(H,6,7)
• InChIKey: DFKVDDIDOUXAIE-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 189.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.55
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid) (CID 86662418) is 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid) is Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3csc4c[nH]c(=O)cc34)oc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DFKVDDIDOUXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S.2C2HF3O2/c23-22-21-15(5-18(30-21)17-11-31-19-9-25-20(29)6-14(17)19)16(8-26-22)12-7-27-28(10-12)13-1-3-24-4-2-13;2*3-2(4,5)1(6)7/h5-11,13,24H,1-4H2,(H2,23,26)(H,25,29);2*(H,6,7).

What are the key properties of 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)?

3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 660.55 g/mol, XLogP of 5.03, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 86662418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).