4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid

C25H30F4N4O3 — CID 130203041

About 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid

4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid (PubChem CID 130203041) has the molecular formula C25H30F4N4O3 and a molecular weight of 510.53 g/mol. Its IUPAC name is 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid
• PubChem CID: 130203041
• Molecular Formula: C25H30F4N4O3
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.23
• IUPAC Name: 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid
• SMILES: CCCC1CC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CCN1C(=O)O
• InChI: InChI=1S/C25H30F4N4O3/c1-2-3-19-12-17(8-11-32(19)24(35)36)13-22(34)31-10-9-20-21(15-31)33(30-23(20)25(27,28)29)14-16-4-6-18(26)7-5-16/h4-7,17,19H,2-3,8-15H2,1H3,(H,35,36)
• InChIKey: QUTZBMULNQNRGX-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid (CID 130203041) is 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid.

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

The canonical SMILES for 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid is CCCC1CC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CCN1C(=O)O.

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

The InChIKey is QUTZBMULNQNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4N4O3/c1-2-3-19-12-17(8-11-32(19)24(35)36)13-22(34)31-10-9-20-21(15-31)33(30-23(20)25(27,28)29)14-16-4-6-18(26)7-5-16/h4-7,17,19H,2-3,8-15H2,1H3,(H,35,36).

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

4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid has a molecular weight of 510.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-2-propylpiperidine-1-carboxylic acid is sourced from PubChem (CID 130203041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).