1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C23H32N6O3S — CID 155668784

IUPAC1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C23H32N6O3S/c1-5-7-16-9-10-17(33(31,32)29-13-11-27(3)12-14-29)15-18(16)22-24-20-19(8-6-2)26-28(4)21(20)23(30)25-22/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)
InChIKeyRONZSNVFYSZXKS-UHFFFAOYSA-N
MW472.62 g/mol
LogP2.16
Rot. Bonds7

About 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 155668784) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID155668784
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC Name1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C23H32N6O3S/c1-5-7-16-9-10-17(33(31,32)29-13-11-27(3)12-14-29)15-18(16)22-24-20-19(8-6-2)26-28(4)21(20)23(30)25-22/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)
InChIKeyRONZSNVFYSZXKS-UHFFFAOYSA-N
XLogP2.16
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propan-2-ylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;molecular hydrogen
CID 145317659
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
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
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 135444791
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
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-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135949536
ethoxy-[[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]methyl]-oxophosphanium
CID 135543114
5-[2-ethoxy-5-[4-(2-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969619
5-[2-ethoxy-5-[4-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 169437714

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 155668784) is 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is RONZSNVFYSZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-5-7-16-9-10-17(33(31,32)29-13-11-27(3)12-14-29)15-18(16)22-24-20-19(8-6-2)26-28(4)21(20)23(30)25-22/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30).
What are the key properties of 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 472.62 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propylphenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 155668784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).