3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C23H21FN6O3 — CID 83275646

About 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 83275646) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 83275646
• Molecular Formula: C23H21FN6O3
• Molecular Weight: 448.46 g/mol
• Exact Mass: 448.17
• IUPAC Name: 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: COc1ccccc1NC(=O)N1CCc2c(c(-c3nnc(-c4ccc(F)cc4)o3)nn2C)C1
• InChI: InChI=1S/C23H21FN6O3/c1-29-18-11-12-30(23(31)25-17-5-3-4-6-19(17)32-2)13-16(18)20(28-29)22-27-26-21(33-22)14-7-9-15(24)10-8-14/h3-10H,11-13H2,1-2H3,(H,25,31)
• InChIKey: PHJAHHFQOOUTHA-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.46
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 83275646) is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

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

The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is COc1ccccc1NC(=O)N1CCc2c(c(-c3nnc(-c4ccc(F)cc4)o3)nn2C)C1.

What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is PHJAHHFQOOUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-29-18-11-12-30(23(31)25-17-5-3-4-6-19(17)32-2)13-16(18)20(28-29)22-27-26-21(33-22)14-7-9-15(24)10-8-14/h3-10H,11-13H2,1-2H3,(H,25,31).

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

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 83275646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).