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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine

C81H105ClN20O11S3 — CID 159376959

IUPAC3-(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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3ccccc3OCC)nc12
InChIInChI=1S/C23H32N6O3S.C22H30N6O4S.C18H21ClN4O3S.C18H22N4O/c1-6-8-19-21-22(28(5)26-19)16(3)24-23(25-21)18-15-17(9-10-20(18)32-7-2)33(30,31)29-13-11-27(4)12-14-29;1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;1-5-7-14-16-17(23(4)22-14)11(3)20-18(21-16)13-10-12(27(19,24)25)8-9-15(13)26-6-2;1-5-9-14-16-17(22(4)21-14)12(3)19-18(20-16)13-10-7-8-11-15(13)23-6-2/h9-10,15H,6-8,11-14H2,1-5H3;8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);8-10H,5-7H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3
InChIKeyLKLCBIODAAUPDB-UHFFFAOYSA-N
MW1666.51 g/mol
LogP11.54
Rot. Bonds25

About 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine

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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine (PubChem CID 159376959) has the molecular formula C81H105ClN20O11S3 and a molecular weight of 1666.51 g/mol. Its IUPAC name is 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-(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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine
PubChem CID159376959
Molecular FormulaC81H105ClN20O11S3
Molecular Weight1666.51 g/mol
Exact Mass1664.71
IUPAC Name3-(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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3ccccc3OCC)nc12
InChIInChI=1S/C23H32N6O3S.C22H30N6O4S.C18H21ClN4O3S.C18H22N4O/c1-6-8-19-21-22(28(5)26-19)16(3)24-23(25-21)18-15-17(9-10-20(18)32-7-2)33(30,31)29-13-11-27(4)12-14-29;1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;1-5-7-14-16-17(23(4)22-14)11(3)20-18(21-16)13-10-12(27(19,24)25)8-9-15(13)26-6-2;1-5-9-14-16-17(22(4)21-14)12(3)19-18(20-16)13-10-7-8-11-15(13)23-6-2/h9-10,15H,6-8,11-14H2,1-5H3;8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);8-10H,5-7H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3
InChIKeyLKLCBIODAAUPDB-UHFFFAOYSA-N
XLogP11.54
TPSA346.67 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.51
LogP ≤ 511.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine 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

Sildenafil dimer
CID 135564618
Sildenafil dioxane solvate
CID 139204841
2-[2-Ethoxy-5-(4-ethylpiperazine-1-sulfonyl)phenyl]-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one--hydrogen chloride (2/3)
CID 165340028
bis[bis[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]methyl] carbonate
CID 87939760
1-[(1-methylimidazol-2-yl)methyl]-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135507359
1,3-dimethyl-7H-purine-2,6-dione;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135592940
5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 136015505
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[2-[8-[1-[5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]ethylamino]octylamino]ethyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136048578
5-[2-ethoxy-5-[4-[4-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]butyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136048580
5-[2-ethoxy-5-[4-[[4-[[2-[5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]ethylamino]methyl]phenyl]methyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136048587
5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136066998
5-[2-ethoxy-5-[4-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbonyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136069594

Frequently Asked Questions

What is the IUPAC name of 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine (CID 159376959) is 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.CCCc1nn(C)c2c(C)nc(-c3ccccc3OCC)nc12.
What is the InChIKey of 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine?
The InChIKey is LKLCBIODAAUPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S.C22H30N6O4S.C18H21ClN4O3S.C18H22N4O/c1-6-8-19-21-22(28(5)26-19)16(3)24-23(25-21)18-15-17(9-10-20(18)32-7-2)33(30,31)29-13-11-27(4)12-14-29;1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;1-5-7-14-16-17(23(4)22-14)11(3)20-18(21-16)13-10-12(27(19,24)25)8-9-15(13)26-6-2;1-5-9-14-16-17(22(4)21-14)12(3)19-18(20-16)13-10-7-8-11-15(13)23-6-2/h9-10,15H,6-8,11-14H2,1-5H3;8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);8-10H,5-7H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine?
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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine has a molecular weight of 1666.51 g/mol, XLogP of 11.54, 25 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-(2-ethoxyphenyl)-1,7-dimethyl-3-propylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 159376959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).