2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C24H24N6O4S2 — CID 3193786

IUPAC2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)cc1
InChIInChI=1S/C24H24N6O4S2/c1-17-2-6-19(7-3-17)30-23-21(14-27-30)24(26-16-25-23)35-15-22(31)28-18-4-8-20(9-5-18)36(32,33)29-10-12-34-13-11-29/h2-9,14,16H,10-13,15H2,1H3,(H,28,31)
InChIKeyKSHVQPPCIFJRQP-UHFFFAOYSA-N
MW524.63 g/mol
LogP2.88
Rot. Bonds7

About 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3193786) has the molecular formula C24H24N6O4S2 and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3193786
Molecular FormulaC24H24N6O4S2
Molecular Weight524.63 g/mol
Exact Mass524.13
IUPAC Name2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)cc1
InChIInChI=1S/C24H24N6O4S2/c1-17-2-6-19(7-3-17)30-23-21(14-27-30)24(26-16-25-23)35-15-22(31)28-18-4-8-20(9-5-18)36(32,33)29-10-12-34-13-11-29/h2-9,14,16H,10-13,15H2,1H3,(H,28,31)
InChIKeyKSHVQPPCIFJRQP-UHFFFAOYSA-N
XLogP2.88
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide 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-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1445363
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2043166
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 2042918
N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17429620
N-(3,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445507
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445511
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51699864
N-(2,6-dibromo-4-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2048715
N-(2-chloro-5-methylsulfonylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2662167
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 3193786) is 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is KSHVQPPCIFJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S2/c1-17-2-6-19(7-3-17)30-23-21(14-27-30)24(26-16-25-23)35-15-22(31)28-18-4-8-20(9-5-18)36(32,33)29-10-12-34-13-11-29/h2-9,14,16H,10-13,15H2,1H3,(H,28,31).
What are the key properties of 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 524.63 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3193786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).