1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid

C24H23N7O4S — CID 161009217

About 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid

1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid (PubChem CID 161009217) has the molecular formula C24H23N7O4S and a molecular weight of 505.56 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid.

Molecular Properties

• Compound Name: 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid
• PubChem CID: 161009217
• Molecular Formula: C24H23N7O4S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.15
• IUPAC Name: 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid
• SMILES: CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cncc6cnsc56)cc34)cn2)CC1.O=CO
• InChI: InChI=1S/C23H21N7O2S.CH2O2/c1-13(31)29-4-2-16(3-5-29)30-12-15(8-27-30)18-11-26-23(24)21-17(18)6-20(32-21)19-10-25-7-14-9-28-33-22(14)19;2-1-3/h6-12,16H,2-5H2,1H3,(H2,24,26);1H,(H,2,3)
• InChIKey: TWXJUSKGOLZMLT-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 153.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid?

The IUPAC name of 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid (CID 161009217) is 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid.

What is the SMILES notation for 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid?

The canonical SMILES for 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cncc6cnsc56)cc34)cn2)CC1.O=CO.

What is the InChIKey of 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid?

The InChIKey is TWXJUSKGOLZMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2S.CH2O2/c1-13(31)29-4-2-16(3-5-29)30-12-15(8-27-30)18-11-26-23(24)21-17(18)6-20(32-21)19-10-25-7-14-9-28-33-22(14)19;2-1-3/h6-12,16H,2-5H2,1H3,(H2,24,26);1H,(H,2,3).

What are the key properties of 1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid?

1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid has a molecular weight of 505.56 g/mol, XLogP of 3.83, 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-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid is sourced from PubChem (CID 161009217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).