N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C20H25N7O3S — CID 35757472

IUPACN-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1
InChIInChI=1S/C20H25N7O3S/c1-13-18-19(25(4)24-13)20(22-14(2)21-18)26-9-11-27(12-10-26)31(29,30)17-7-5-16(6-8-17)23-15(3)28/h5-8H,9-12H2,1-4H3,(H,23,28)
InChIKeyAABUTEOVLOYQMK-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.45
Rot. Bonds4

About N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 35757472) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID35757472
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC NameN-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1
InChIInChI=1S/C20H25N7O3S/c1-13-18-19(25(4)24-13)20(22-14(2)21-18)26-9-11-27(12-10-26)31(29,30)17-7-5-16(6-8-17)23-15(3)28/h5-8H,9-12H2,1-4H3,(H,23,28)
InChIKeyAABUTEOVLOYQMK-UHFFFAOYSA-N
XLogP1.45
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]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

7-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757492
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121072447
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
7-(4-butylsulfonylpiperazin-1-yl)-1,3,5-trimethylpyrazolo[4,5-d]pyrimidine
CID 35757499
N-[4-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1030233
N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 42474065
N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide
CID 42786778
ethyl 3-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]quinoxaline-2-carboxylate
CID 46093646

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 35757472) is N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1.
What is the InChIKey of N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is AABUTEOVLOYQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-13-18-19(25(4)24-13)20(22-14(2)21-18)26-9-11-27(12-10-26)31(29,30)17-7-5-16(6-8-17)23-15(3)28/h5-8H,9-12H2,1-4H3,(H,23,28).
What are the key properties of N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 35757472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).