1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid

C23H28F4N4O3 — CID 118561326

About 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid

1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid (PubChem CID 118561326) has the molecular formula C23H28F4N4O3 and a molecular weight of 484.49 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid.

Molecular Properties

• Compound Name: 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid
• PubChem CID: 118561326
• Molecular Formula: C23H28F4N4O3
• Molecular Weight: 484.49 g/mol
• Exact Mass: 484.21
• IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid
• SMILES: CN1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1.O=CO
• InChI: InChI=1S/C22H26F4N4O.CH2O2/c1-28-9-2-3-16(12-28)11-20(31)29-10-8-18-19(14-29)30(27-21(18)22(24,25)26)13-15-4-6-17(23)7-5-15;2-1-3/h4-7,16H,2-3,8-14H2,1H3;1H,(H,2,3)
• InChIKey: BMQUVANEHLOJFE-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid?

The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid (CID 118561326) is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid.

What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid?

The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid is CN1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1.O=CO.

What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid?

The InChIKey is BMQUVANEHLOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O.CH2O2/c1-28-9-2-3-16(12-28)11-20(31)29-10-8-18-19(14-29)30(27-21(18)22(24,25)26)13-15-4-6-17(23)7-5-15;2-1-3/h4-7,16H,2-3,8-14H2,1H3;1H,(H,2,3).

What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid?

1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid has a molecular weight of 484.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;formic acid is sourced from PubChem (CID 118561326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).