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

C24H22FN5O3 — CID 53018637

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

[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 53018637) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

• Compound Name: [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone
• PubChem CID: 53018637
• Molecular Formula: C24H22FN5O3
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.17
• IUPAC Name: [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone
• SMILES: COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c(C)c1
• InChI: InChI=1S/C24H22FN5O3/c1-14-12-15(32-3)8-9-16(14)24(31)30-11-10-20-18(13-30)21(27-29(20)2)23-26-22(28-33-23)17-6-4-5-7-19(17)25/h4-9,12H,10-11,13H2,1-3H3
• InChIKey: CGAGOEPWLXXUDX-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 86.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone (CID 53018637) is [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone.

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

The canonical SMILES for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCc3c(c(-c4nc(-c5ccccc5F)no4)nn3C)C2)c(C)c1.

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

The InChIKey is CGAGOEPWLXXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-14-12-15(32-3)8-9-16(14)24(31)30-11-10-20-18(13-30)21(27-29(20)2)23-26-22(28-33-23)17-6-4-5-7-19(17)25/h4-9,12H,10-11,13H2,1-3H3.

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

[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 447.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 53018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).