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

C20H20N6O3 — CID 71812593

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

1-[4-[4-[7-amino-2-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 71812593) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(1,3-oxazol-5-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-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 71812593
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: 1-[4-[4-[7-amino-2-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnco5)cc34)cn2)CC1
• InChI: InChI=1S/C20H20N6O3/c1-12(27)25-4-2-14(3-5-25)26-10-13(7-24-26)16-8-23-20(21)19-15(16)6-17(29-19)18-9-22-11-28-18/h6-11,14H,2-5H2,1H3,(H2,21,23)
• InChIKey: XTEHQKIKMZYYEO-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 116.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	3.11
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-(1,3-oxazol-5-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-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 71812593) is 1-[4-[4-[7-amino-2-(1,3-oxazol-5-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-(1,3-oxazol-5-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-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnco5)cc34)cn2)CC1.

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

The InChIKey is XTEHQKIKMZYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-12(27)25-4-2-14(3-5-25)26-10-13(7-24-26)16-8-23-20(21)19-15(16)6-17(29-19)18-9-22-11-28-18/h6-11,14H,2-5H2,1H3,(H2,21,23).

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

1-[4-[4-[7-amino-2-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 392.42 g/mol, XLogP of 3.11, 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-(1,3-oxazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71812593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).