4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

C26H26F3N5O2 — CID 26141606

About 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 26141606) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• PubChem CID: 26141606
• Molecular Formula: C26H26F3N5O2
• Molecular Weight: 497.52 g/mol
• Exact Mass: 497.20
• IUPAC Name: 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
• SMILES: O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(Cc2cccc(C(F)(F)F)c2)CC3)CCN1
• InChI: InChI=1S/C26H26F3N5O2/c27-26(28,29)20-8-4-7-19(13-20)14-32-11-9-22-21(16-32)24(25(36)33-12-10-30-23(35)17-33)31-34(22)15-18-5-2-1-3-6-18/h1-8,13H,9-12,14-17H2,(H,30,35)
• InChIKey: SAOWJYOYPMVPNZ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.52
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The IUPAC name of 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 26141606) is 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

What is the SMILES notation for 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The canonical SMILES for 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(Cc2cccc(C(F)(F)F)c2)CC3)CCN1.

What is the InChIKey of 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

The InChIKey is SAOWJYOYPMVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c27-26(28,29)20-8-4-7-19(13-20)14-32-11-9-22-21(16-32)24(25(36)33-12-10-30-23(35)17-33)31-34(22)15-18-5-2-1-3-6-18/h1-8,13H,9-12,14-17H2,(H,30,35).

What are the key properties of 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?

4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 497.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 26141606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).