5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one

C22H29N6O5S- — CID 87356709

IUPAC5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)n([O-])c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
InChIInChI=1S/C22H29N6O5S/c1-5-7-17-19-20(26(4)24-17)22(29)28(30)21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3/q-1
InChIKeyQNRNZEMCIZHOKS-UHFFFAOYSA-N
MW489.58 g/mol
LogP1.43
Rot. Bonds7

About 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 87356709) has the molecular formula C22H29N6O5S- and a molecular weight of 489.58 g/mol. Its IUPAC name is 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID87356709
Molecular FormulaC22H29N6O5S-
Molecular Weight489.58 g/mol
Exact Mass489.19
IUPAC Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)n([O-])c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
InChIInChI=1S/C22H29N6O5S/c1-5-7-17-19-20(26(4)24-17)22(29)28(30)21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3/q-1
InChIKeyQNRNZEMCIZHOKS-UHFFFAOYSA-N
XLogP1.43
TPSA125.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one 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

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrobromide
CID 135545922
butanedioic acid;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135545942
3-(1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonyl chloride;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine;molecular iodine;triiodide
CID 160952192
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-hydroxypropanoic acid
CID 135474472
5-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135565522
ethyl 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 135529005
6-deuterio-3-(1,1-dideuteriopropyl)-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methylpyrazolo[4,5-d]pyrimidin-7-one
CID 25217086
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 135444791
1-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]propane-1,2-dione
CID 162360816
[5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-4-yl] tridecanoate
CID 145375767
[5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-7-oxo-3-propylpyrazolo[4,5-d]pyrimidin-4-yl] icosanoate
CID 145375777
5-[2-ethoxy-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,5-d]pyrimidine-7-thione
CID 56838471

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one (CID 87356709) is 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)n([O-])c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.
What is the InChIKey of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QNRNZEMCIZHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N6O5S/c1-5-7-17-19-20(26(4)24-17)22(29)28(30)21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3/q-1.
What are the key properties of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 489.58 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 87356709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).