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

C22H21FN4O2 — CID 110248176

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

5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248176) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• PubChem CID: 110248176
• Molecular Formula: C22H21FN4O2
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.16
• IUPAC Name: 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• SMILES: Cn1cc2c(n1)C(C(=O)NCc1ccccc1F)CN(C(=O)c1ccccc1)C2
• InChI: InChI=1S/C22H21FN4O2/c1-26-12-17-13-27(22(29)15-7-3-2-4-8-15)14-18(20(17)25-26)21(28)24-11-16-9-5-6-10-19(16)23/h2-10,12,18H,11,13-14H2,1H3,(H,24,28)
• InChIKey: DDIZFXUMBVRXPG-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248176) is 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

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

The canonical SMILES for 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)C(C(=O)NCc1ccccc1F)CN(C(=O)c1ccccc1)C2.

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

The InChIKey is DDIZFXUMBVRXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-26-12-17-13-27(22(29)15-7-3-2-4-8-15)14-18(20(17)25-26)21(28)24-11-16-9-5-6-10-19(16)23/h2-10,12,18H,11,13-14H2,1H3,(H,24,28).

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

5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).