1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

C21H20FN3O3 — CID 130433801

About 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 130433801) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
• PubChem CID: 130433801
• Molecular Formula: C21H20FN3O3
• Molecular Weight: 381.41 g/mol
• Exact Mass: 381.15
• IUPAC Name: 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
• SMILES: CC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc12
• InChI: InChI=1S/C21H20FN3O3/c1-13(26)17-12-23-25-6-4-15(11-19(17)25)24-5-2-3-18(24)16-9-14(22)10-20-21(16)28-8-7-27-20/h4,6,9-12,18H,2-3,5,7-8H2,1H3
• InChIKey: GFJXCKMRGDLLFN-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.41
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

The IUPAC name of 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 130433801) is 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

What is the SMILES notation for 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

The canonical SMILES for 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc12.

What is the InChIKey of 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

The InChIKey is GFJXCKMRGDLLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13(26)17-12-23-25-6-4-15(11-19(17)25)24-5-2-3-18(24)16-9-14(22)10-20-21(16)28-8-7-27-20/h4,6,9-12,18H,2-3,5,7-8H2,1H3.

What are the key properties of 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?

1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 381.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 130433801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).