1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C25H23F3N8O4 — CID 66759535

About 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 66759535) has the molecular formula C25H23F3N8O4 and a molecular weight of 556.51 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[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-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 66759535
• Molecular Formula: C25H23F3N8O4
• Molecular Weight: 556.51 g/mol
• Exact Mass: 556.18
• IUPAC Name: 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[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(-c5cnc6cnccn56)cc34)cn2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H22N8O2.C2HF3O2/c1-14(32)29-5-2-16(3-6-29)31-13-15(9-28-31)22-17-8-20(33-23(17)18(24)10-27-22)19-11-26-21-12-25-4-7-30(19)21;3-2(4,5)1(6)7/h4,7-13,16H,2-3,5-6,24H2,1H3;(H,6,7)
• InChIKey: WDXULNVYUJEDOE-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 157.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.51
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[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-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 66759535) is 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[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-imidazo[1,2-a]pyrazin-3-ylfuro[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-imidazo[1,2-a]pyrazin-3-ylfuro[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(-c5cnc6cnccn56)cc34)cn2)CC1.O=C(O)C(F)(F)F.

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

The InChIKey is WDXULNVYUJEDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2.C2HF3O2/c1-14(32)29-5-2-16(3-6-29)31-13-15(9-28-31)22-17-8-20(33-23(17)18(24)10-27-22)19-11-26-21-12-25-4-7-30(19)21;3-2(4,5)1(6)7/h4,7-13,16H,2-3,5-6,24H2,1H3;(H,6,7).

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

1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 556.51 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[3,2-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66759535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).