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

C24H27F4N3O3 — CID 118561280

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

4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 118561280) has the molecular formula C24H27F4N3O3 and a molecular weight of 481.49 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]-1-methylcyclohexane-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]-1-methylcyclohexane-1-carboxylic acid
• PubChem CID: 118561280
• Molecular Formula: C24H27F4N3O3
• Molecular Weight: 481.49 g/mol
• Exact Mass: 481.20
• IUPAC Name: 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-1-methylcyclohexane-1-carboxylic acid
• SMILES: CC1(C(=O)O)CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1
• InChI: InChI=1S/C24H27F4N3O3/c1-23(22(33)34)9-6-15(7-10-23)12-20(32)30-11-8-18-19(14-30)31(29-21(18)24(26,27)28)13-16-2-4-17(25)5-3-16/h2-5,15H,6-14H2,1H3,(H,33,34)
• InChIKey: QXQZPLOEFXBTMA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.49
LogP ≤ 5	4.65
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]-1-methylcyclohexane-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]-1-methylcyclohexane-1-carboxylic acid (CID 118561280) is 4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-1-methylcyclohexane-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]-1-methylcyclohexane-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]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1.

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]-1-methylcyclohexane-1-carboxylic acid?

The InChIKey is QXQZPLOEFXBTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O3/c1-23(22(33)34)9-6-15(7-10-23)12-20(32)30-11-8-18-19(14-30)31(29-21(18)24(26,27)28)13-16-2-4-17(25)5-3-16/h2-5,15H,6-14H2,1H3,(H,33,34).

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]-1-methylcyclohexane-1-carboxylic acid?

4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 481.49 g/mol, XLogP of 4.65, 5 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]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 118561280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).