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

C24H25F6N3O3 — CID 118561194

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

4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid (PubChem CID 118561194) has the molecular formula C24H25F6N3O3 and a molecular weight of 517.47 g/mol. Its IUPAC name is 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid
• PubChem CID: 118561194
• Molecular Formula: C24H25F6N3O3
• Molecular Weight: 517.47 g/mol
• Exact Mass: 517.18
• IUPAC Name: 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid
• SMILES: O=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(C(F)(F)F)cc4)c3C2)CC1
• InChI: InChI=1S/C24H25F6N3O3/c25-23(26,27)17-7-3-15(4-8-17)12-33-19-13-32(10-9-18(19)21(31-33)24(28,29)30)20(34)11-14-1-5-16(6-2-14)22(35)36/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H,35,36)
• InChIKey: MDWHWYPVGJHOJZ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.47
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid (CID 118561194) is 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid.

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

The canonical SMILES for 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(C(F)(F)F)cc4)c3C2)CC1.

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

The InChIKey is MDWHWYPVGJHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O3/c25-23(26,27)17-7-3-15(4-8-17)12-33-19-13-32(10-9-18(19)21(31-33)24(28,29)30)20(34)11-14-1-5-16(6-2-14)22(35)36/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H,35,36).

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

4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 517.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-oxo-2-[3-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118561194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).