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

C24H28F3N3O3 — CID 118561269

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

4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 118561269) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
• PubChem CID: 118561269
• Molecular Formula: C24H28F3N3O3
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.21
• IUPAC Name: 4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
• SMILES: Cc1ccc(Cn2nc(C(F)(F)F)c3c2CN(C(=O)CC2CCC(C(=O)O)CC2)CC3)cc1
• InChI: InChI=1S/C24H28F3N3O3/c1-15-2-4-17(5-3-15)13-30-20-14-29(11-10-19(20)22(28-30)24(25,26)27)21(31)12-16-6-8-18(9-7-16)23(32)33/h2-5,16,18H,6-14H2,1H3,(H,32,33)
• InChIKey: IXKRCJOXEOWUCA-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 118561269) is 4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid.

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

The canonical SMILES for 4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is Cc1ccc(Cn2nc(C(F)(F)F)c3c2CN(C(=O)CC2CCC(C(=O)O)CC2)CC3)cc1.

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

The InChIKey is IXKRCJOXEOWUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-15-2-4-17(5-3-15)13-30-20-14-29(11-10-19(20)22(28-30)24(25,26)27)21(31)12-16-6-8-18(9-7-16)23(32)33/h2-5,16,18H,6-14H2,1H3,(H,32,33).

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

4-[2-[1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 463.50 g/mol, XLogP of 4.42, 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-methylphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118561269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).