1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid

C24H29N5O5S — CID 174586184

IUPAC1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C5(C(=O)O)CCCCC5)CC4)ncnc32)cc1
InChIInChI=1S/C24H29N5O5S/c1-35(32,33)19-7-5-17(6-8-19)29-21-20(15-27-29)22(26-16-25-21)34-18-9-13-28(14-10-18)24(23(30)31)11-3-2-4-12-24/h5-8,15-16,18H,2-4,9-14H2,1H3,(H,30,31)
InChIKeyLLSANBYFNDGZEF-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.85
Rot. Bonds6

About 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid

1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 174586184) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID174586184
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C5(C(=O)O)CCCCC5)CC4)ncnc32)cc1
InChIInChI=1S/C24H29N5O5S/c1-35(32,33)19-7-5-17(6-8-19)29-21-20(15-27-29)22(26-16-25-21)34-18-9-13-28(14-10-18)24(23(30)31)11-3-2-4-12-24/h5-8,15-16,18H,2-4,9-14H2,1H3,(H,30,31)
InChIKeyLLSANBYFNDGZEF-UHFFFAOYSA-N
XLogP2.85
TPSA127.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]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

Related Compounds

4-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 69348118
1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 11360802
[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-ylmethanone
CID 11179086
tert-butyl N-methyl-N-[3-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-oxopropyl]carbamate
CID 11467089
2-(2-chloro-5-fluoro-3-pyridinyl)-4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carbaldehyde
CID 87218329
1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 141106657
butyl 4-[1-[2-(dimethylamino)-4-methylsulfonylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150596065
tert-butyl N-[4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]carbamate
CID 58664101
3-[(2-methylpropan-2-yl)oxy]-1-[4-[1-(4-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 142990273
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088
propan-2-yl 4-[1-[4-(2-methoxyethylamino)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496318
3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 141106636

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid (CID 174586184) is 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid is CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C5(C(=O)O)CCCCC5)CC4)ncnc32)cc1.
What is the InChIKey of 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is LLSANBYFNDGZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-35(32,33)19-7-5-17(6-8-19)29-21-20(15-27-29)22(26-16-25-21)34-18-9-13-28(14-10-18)24(23(30)31)11-3-2-4-12-24/h5-8,15-16,18H,2-4,9-14H2,1H3,(H,30,31).
What are the key properties of 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 499.59 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174586184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).