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

C25H32F4N4O3 — CID 118561211

About 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-3-yl)ethanone;formic acid (PubChem CID 118561211) has the molecular formula C25H32F4N4O3 and a molecular weight of 512.55 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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-3-yl)ethanone;formic acid
• PubChem CID: 118561211
• Molecular Formula: C25H32F4N4O3
• Molecular Weight: 512.55 g/mol
• Exact Mass: 512.24
• IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone;formic acid
• SMILES: CC(C)N1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1.O=CO
• InChI: InChI=1S/C24H30F4N4O.CH2O2/c1-16(2)30-10-3-4-18(13-30)12-22(33)31-11-9-20-21(15-31)32(29-23(20)24(26,27)28)14-17-5-7-19(25)8-6-17;2-1-3/h5-8,16,18H,3-4,9-15H2,1-2H3;1H,(H,2,3)
• InChIKey: BEABMCQIASHIJN-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.55
LogP ≤ 5	4.19
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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-3-yl)ethanone;formic acid (CID 118561211) is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-3-yl)ethanone;formic acid is CC(C)N1CCCC(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-propan-2-ylpiperidin-3-yl)ethanone;formic acid?

The InChIKey is BEABMCQIASHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N4O.CH2O2/c1-16(2)30-10-3-4-18(13-30)12-22(33)31-11-9-20-21(15-31)32(29-23(20)24(26,27)28)14-17-5-7-19(25)8-6-17;2-1-3/h5-8,16,18H,3-4,9-15H2,1-2H3;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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-3-yl)ethanone;formic acid has a molecular weight of 512.55 g/mol, XLogP of 4.19, 5 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-propan-2-ylpiperidin-3-yl)ethanone;formic acid is sourced from PubChem (CID 118561211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).