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

C24H28F3N3O3 — CID 118561260

IUPAC4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(CCc4ccccc4)c3C2)CC1
InChIInChI=1S/C24H28F3N3O3/c25-24(26,27)22-19-11-12-29(21(31)14-17-6-8-18(9-7-17)23(32)33)15-20(19)30(28-22)13-10-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,32,33)
InChIKeyVWICFBGSIHVBCY-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.31
Rot. Bonds6

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

4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid (PubChem CID 118561260) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid
PubChem CID118561260
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(CCc4ccccc4)c3C2)CC1
InChIInChI=1S/C24H28F3N3O3/c25-24(26,27)22-19-11-12-29(21(31)14-17-6-8-18(9-7-17)23(32)33)15-20(19)30(28-22)13-10-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,32,33)
InChIKeyVWICFBGSIHVBCY-UHFFFAOYSA-N
XLogP4.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid (CID 118561260) is 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-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-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-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(CCc4ccccc4)c3C2)CC1.
What is the InChIKey of 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is VWICFBGSIHVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c25-24(26,27)22-19-11-12-29(21(31)14-17-6-8-18(9-7-17)23(32)33)15-20(19)30(28-22)13-10-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,32,33).
What are the key properties of 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid?
4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 463.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118561260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).