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

C22H25ClFN3O3 — CID 118561199

IUPAC4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC(=O)N2CCc3cnn(Cc4ccc(Cl)cc4F)c3C2)CC1
InChIInChI=1S/C22H25ClFN3O3/c23-18-6-5-17(19(24)10-18)12-27-20-13-26(8-7-16(20)11-25-27)21(28)9-14-1-3-15(4-2-14)22(29)30/h5-6,10-11,14-15H,1-4,7-9,12-13H2,(H,29,30)
InChIKeyFQLBFSBOBYNHTG-UHFFFAOYSA-N
MW433.91 g/mol
LogP3.89
Rot. Bonds5

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

4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 118561199) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is 4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID118561199
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC Name4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CC(=O)N2CCc3cnn(Cc4ccc(Cl)cc4F)c3C2)CC1
InChIInChI=1S/C22H25ClFN3O3/c23-18-6-5-17(19(24)10-18)12-27-20-13-26(8-7-16(20)11-25-27)21(28)9-14-1-3-15(4-2-14)22(29)30/h5-6,10-11,14-15H,1-4,7-9,12-13H2,(H,29,30)
InChIKeyFQLBFSBOBYNHTG-UHFFFAOYSA-N
XLogP3.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-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-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 118561199) is 4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-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-chloro-2-fluorophenyl)methyl]-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-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CC(=O)N2CCc3cnn(Cc4ccc(Cl)cc4F)c3C2)CC1.
What is the InChIKey of 4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is FQLBFSBOBYNHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c23-18-6-5-17(19(24)10-18)12-27-20-13-26(8-7-16(20)11-25-27)21(28)9-14-1-3-15(4-2-14)22(29)30/h5-6,10-11,14-15H,1-4,7-9,12-13H2,(H,29,30).
What are the key properties of 4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
4-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 433.91 g/mol, XLogP of 3.89, 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-chloro-2-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118561199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).