1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one

C25H24FN5O2 — CID 46390893

About 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one

1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one (PubChem CID 46390893) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one.

Molecular Properties

• Compound Name: 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one
• PubChem CID: 46390893
• Molecular Formula: C25H24FN5O2
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.19
• IUPAC Name: 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one
• SMILES: CCC(C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4F)o3)nn2C)C1)c1ccccc1
• InChI: InChI=1S/C25H24FN5O2/c1-3-17(16-9-5-4-6-10-16)25(32)31-14-13-21-19(15-31)22(29-30(21)2)24-28-27-23(33-24)18-11-7-8-12-20(18)26/h4-12,17H,3,13-15H2,1-2H3
• InChIKey: YBYUDOWJJSAYNL-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one?

The IUPAC name of 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one (CID 46390893) is 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one.

What is the SMILES notation for 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one?

The canonical SMILES for 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4F)o3)nn2C)C1)c1ccccc1.

What is the InChIKey of 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one?

The InChIKey is YBYUDOWJJSAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-3-17(16-9-5-4-6-10-16)25(32)31-14-13-21-19(15-31)22(29-30(21)2)24-28-27-23(33-24)18-11-7-8-12-20(18)26/h4-12,17H,3,13-15H2,1-2H3.

What are the key properties of 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one?

1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one has a molecular weight of 445.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 46390893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).