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

C23H24F5N3O3 — CID 118561414

IUPAC4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)c(F)c4)c3C2)CC1
InChIInChI=1S/C23H24F5N3O3/c24-17-6-3-14(9-18(17)25)11-31-19-12-30(8-7-16(19)21(29-31)23(26,27)28)20(32)10-13-1-4-15(5-2-13)22(33)34/h3,6,9,13,15H,1-2,4-5,7-8,10-12H2,(H,33,34)
InChIKeyFYDCEBZVLIUUJY-UHFFFAOYSA-N
MW485.45 g/mol
LogP4.39
Rot. Bonds5

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

4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 118561414) has the molecular formula C23H24F5N3O3 and a molecular weight of 485.45 g/mol. Its IUPAC name is 4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID118561414
Molecular FormulaC23H24F5N3O3
Molecular Weight485.45 g/mol
Exact Mass485.17
IUPAC Name4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)c(F)c4)c3C2)CC1
InChIInChI=1S/C23H24F5N3O3/c24-17-6-3-14(9-18(17)25)11-31-19-12-30(8-7-16(19)21(29-31)23(26,27)28)20(32)10-13-1-4-15(5-2-13)22(33)34/h3,6,9,13,15H,1-2,4-5,7-8,10-12H2,(H,33,34)
InChIKeyFYDCEBZVLIUUJY-UHFFFAOYSA-N
XLogP4.39
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 118561414) is 4-[2-[1-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)c(F)c4)c3C2)CC1.
What is the InChIKey of 4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is FYDCEBZVLIUUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N3O3/c24-17-6-3-14(9-18(17)25)11-31-19-12-30(8-7-16(19)21(29-31)23(26,27)28)20(32)10-13-1-4-15(5-2-13)22(33)34/h3,6,9,13,15H,1-2,4-5,7-8,10-12H2,(H,33,34).
What are the key properties of 4-[2-[1-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
4-[2-[1-[(3,4-difluorophenyl)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 485.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(3,4-difluorophenyl)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 118561414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).