2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C21H18FN3O2 — CID 46986438

About 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 46986438) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
• PubChem CID: 46986438
• Molecular Formula: C21H18FN3O2
• Molecular Weight: 363.39 g/mol
• Exact Mass: 363.14
• IUPAC Name: 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
• SMILES: O=C(C1Cc2ccccc2O1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
• InChI: InChI=1S/C21H18FN3O2/c22-16-7-3-2-6-14(16)20-15-12-25(10-9-17(15)23-24-20)21(26)19-11-13-5-1-4-8-18(13)27-19/h1-8,19H,9-12H2,(H,23,24)
• InChIKey: KDVBMZWGVDQSMJ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 46986438) is 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(C1Cc2ccccc2O1)N1CCc2[nH]nc(-c3ccccc3F)c2C1.

What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

The InChIKey is KDVBMZWGVDQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-16-7-3-2-6-14(16)20-15-12-25(10-9-17(15)23-24-20)21(26)19-11-13-5-1-4-8-18(13)27-19/h1-8,19H,9-12H2,(H,23,24).

What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?

2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 363.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46986438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).