5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine

C22H32N6O3S — CID 142658200

IUPAC5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine
SMILESCCCC1=C2NC(c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)=NC=C2N(C)N1
InChIInChI=1S/C22H32N6O3S/c1-5-7-18-21-19(27(4)25-18)15-23-22(24-21)17-14-16(8-9-20(17)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14-15,25H,5-7,10-13H2,1-4H3,(H,23,24)
InChIKeyRKQYBRBNCJUBHL-UHFFFAOYSA-N
MW460.60 g/mol
LogP1.67
Rot. Bonds7

About 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine (PubChem CID 142658200) has the molecular formula C22H32N6O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine
PubChem CID142658200
Molecular FormulaC22H32N6O3S
Molecular Weight460.60 g/mol
Exact Mass460.23
IUPAC Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine
SMILESCCCC1=C2NC(c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)=NC=C2N(C)N1
InChIInChI=1S/C22H32N6O3S/c1-5-7-18-21-19(27(4)25-18)15-23-22(24-21)17-14-16(8-9-20(17)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14-15,25H,5-7,10-13H2,1-4H3,(H,23,24)
InChIKeyRKQYBRBNCJUBHL-UHFFFAOYSA-N
XLogP1.67
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[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

5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methylbutoxy)phenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine
CID 142658198
7-chloro-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4,7-dihydropyrazolo[4,5-d]pyrimidine
CID 90972117
(6Z)-1-butyl-3-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-6-[1-(methylamino)ethylidene]-4H-1,2,4-triazin-5-one
CID 142183995
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrobromide
CID 135545922
1-amino-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-4H-pyrazolo[4,5-d]pyrimidine-7-thione
CID 154631360
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-6-oxido-3-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 87356709
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
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3H-quinazolin-4-one
CID 135710760
(7aS)-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one
CID 93481271
2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
CID 90937483
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
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135515575

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine (CID 142658200) is 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine is CCCC1=C2NC(c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)=NC=C2N(C)N1.
What is the InChIKey of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine?
The InChIKey is RKQYBRBNCJUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3S/c1-5-7-18-21-19(27(4)25-18)15-23-22(24-21)17-14-16(8-9-20(17)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14-15,25H,5-7,10-13H2,1-4H3,(H,23,24).
What are the key properties of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine?
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine has a molecular weight of 460.60 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 142658200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).