5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C28H34N6O5S — CID 135874585

IUPAC5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)ccc3OCC)nc12
InChIInChI=1S/C28H34N6O5S/c1-5-9-21-25-26(32(3)31-21)28(35)30-27(29-25)20-18-19(12-13-23(20)39-6-2)40(36,37)34-16-14-33(15-17-34)22-10-7-8-11-24(22)38-4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,29,30,35)
InChIKeyFVIYAPYVMNFXKW-UHFFFAOYSA-N
MW566.68 g/mol
LogP3.19
Rot. Bonds9

About 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135874585) has the molecular formula C28H34N6O5S and a molecular weight of 566.68 g/mol. Its IUPAC name is 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135874585
Molecular FormulaC28H34N6O5S
Molecular Weight566.68 g/mol
Exact Mass566.23
IUPAC Name5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)ccc3OCC)nc12
InChIInChI=1S/C28H34N6O5S/c1-5-9-21-25-26(32(3)31-21)28(35)30-27(29-25)20-18-19(12-13-23(20)39-6-2)40(36,37)34-16-14-33(15-17-34)22-10-7-8-11-24(22)38-4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,29,30,35)
InChIKeyFVIYAPYVMNFXKW-UHFFFAOYSA-N
XLogP3.19
TPSA122.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135874585) is 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)ccc3OCC)nc12.
What is the InChIKey of 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FVIYAPYVMNFXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O5S/c1-5-9-21-25-26(32(3)31-21)28(35)30-27(29-25)20-18-19(12-13-23(20)39-6-2)40(36,37)34-16-14-33(15-17-34)22-10-7-8-11-24(22)38-4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,29,30,35).
What are the key properties of 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 566.68 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135874585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).