1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H24N6O3S — CID 51699864

IUPAC1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(-n2ncc3c(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)c1
InChIInChI=1S/C23H24N6O3S/c1-16-3-4-17(2)21(13-16)29-23-20(14-26-29)22(24-15-25-23)27-18-5-7-19(8-6-18)33(30,31)28-9-11-32-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,24,25,27)
InChIKeyMXLOVHPRFQRMDA-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.20
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 51699864) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID51699864
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(-n2ncc3c(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)c1
InChIInChI=1S/C23H24N6O3S/c1-16-3-4-17(2)21(13-16)29-23-20(14-26-29)22(24-15-25-23)27-18-5-7-19(8-6-18)33(30,31)28-9-11-32-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,24,25,27)
InChIKeyMXLOVHPRFQRMDA-UHFFFAOYSA-N
XLogP3.20
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine 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

2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3193786
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3850696
1-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017510
N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 141276032
1-(3-chloro-4-methylphenyl)-N-[4-(4-chlorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41427946
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 10217973
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017606

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 51699864) is 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(C)c(-n2ncc3c(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MXLOVHPRFQRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-16-3-4-17(2)21(13-16)29-23-20(14-26-29)22(24-15-25-23)27-18-5-7-19(8-6-18)33(30,31)28-9-11-32-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,24,25,27).
What are the key properties of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 464.55 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 51699864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).