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

C26H25F3N8O4 — CID 66761069

About 1-[4-[4-[7-amino-2-(2-methylpyrazolo[4,3-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-(2-methylpyrazolo[4,3-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 66761069) has the molecular formula C26H25F3N8O4 and a molecular weight of 570.53 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(2-methylpyrazolo[4,3-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-(2-methylpyrazolo[4,3-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: 66761069
• Molecular Formula: C26H25F3N8O4
• Molecular Weight: 570.53 g/mol
• Exact Mass: 570.20
• IUPAC Name: 1-[4-[4-[7-amino-2-(2-methylpyrazolo[4,3-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(-c5c6cnccc6nn5C)cc34)cn2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H24N8O2.C2HF3O2/c1-14(33)31-7-4-16(5-8-31)32-13-15(10-28-32)22-17-9-21(34-24(17)19(25)12-27-22)23-18-11-26-6-3-20(18)29-30(23)2;3-2(4,5)1(6)7/h3,6,9-13,16H,4-5,7-8,25H2,1-2H3;(H,6,7)
• InChIKey: MGLNKLVYSQJFSO-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 158.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.53
LogP ≤ 5	4.04
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-(2-methylpyrazolo[4,3-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-(2-methylpyrazolo[4,3-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 66761069) is 1-[4-[4-[7-amino-2-(2-methylpyrazolo[4,3-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-(2-methylpyrazolo[4,3-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-(2-methylpyrazolo[4,3-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(-c5c6cnccc6nn5C)cc34)cn2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[4-[4-[7-amino-2-(2-methylpyrazolo[4,3-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 MGLNKLVYSQJFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2.C2HF3O2/c1-14(33)31-7-4-16(5-8-31)32-13-15(10-28-32)22-17-9-21(34-24(17)19(25)12-27-22)23-18-11-26-6-3-20(18)29-30(23)2;3-2(4,5)1(6)7/h3,6,9-13,16H,4-5,7-8,25H2,1-2H3;(H,6,7).

What are the key properties of 1-[4-[4-[7-amino-2-(2-methylpyrazolo[4,3-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-(2-methylpyrazolo[4,3-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 570.53 g/mol, XLogP of 4.04, 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-(2-methylpyrazolo[4,3-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 66761069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).