6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C24H33N7O — CID 136706522

IUPAC6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCC(C)N1CCN1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C24H33N7O/c1-18-8-9-19(2)30(18)15-14-28-10-12-29(13-11-28)17-22-26-23-21(24(32)27-22)16-25-31(23)20-6-4-3-5-7-20/h3-7,16,18-19H,8-15,17H2,1-2H3,(H,26,27,32)
InChIKeyUCIISHPMKPMLGG-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.10
Rot. Bonds6

About 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136706522) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136706522
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCC(C)N1CCN1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C24H33N7O/c1-18-8-9-19(2)30(18)15-14-28-10-12-29(13-11-28)17-22-26-23-21(24(32)27-22)16-25-31(23)20-6-4-3-5-7-20/h3-7,16,18-19H,8-15,17H2,1-2H3,(H,26,27,32)
InChIKeyUCIISHPMKPMLGG-UHFFFAOYSA-N
XLogP2.10
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136706522) is 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CCC(C)N1CCN1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1.
What is the InChIKey of 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UCIISHPMKPMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-18-8-9-19(2)30(18)15-14-28-10-12-29(13-11-28)17-22-26-23-21(24(32)27-22)16-25-31(23)20-6-4-3-5-7-20/h3-7,16,18-19H,8-15,17H2,1-2H3,(H,26,27,32).
What are the key properties of 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 435.58 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136706522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).