1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C24H21FN6O2S — CID 66760119

About 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760119) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 66760119
• Molecular Formula: C24H21FN6O2S
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.14
• IUPAC Name: 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5c(F)ccc6cnsc56)cc34)cn2)CC1
• InChI: InChI=1S/C24H21FN6O2S/c1-13(32)30-6-4-16(5-7-30)31-12-15(9-28-31)18-11-27-24(26)22-17(18)8-20(33-22)21-19(25)3-2-14-10-29-34-23(14)21/h2-3,8-12,16H,4-7H2,1H3,(H2,26,27)
• InChIKey: DIMJTPPIKPXNES-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 103.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760119) is 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5c(F)ccc6cnsc56)cc34)cn2)CC1.

What is the InChIKey of 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

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

What are the key properties of 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 476.54 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).