4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine

C20H25BrN6 — CID 133435764

IUPAC4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCCC1CN(c2ncnc3c2c(Br)nn3C)CCN1Cc1ccccc1
InChIInChI=1S/C20H25BrN6/c1-3-7-16-13-27(11-10-26(16)12-15-8-5-4-6-9-15)20-17-18(21)24-25(2)19(17)22-14-23-20/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3
InChIKeyGSPKUZVIFNLJEF-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.62
Rot. Bonds5

About 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine

4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 133435764) has the molecular formula C20H25BrN6 and a molecular weight of 429.37 g/mol. Its IUPAC name is 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID133435764
Molecular FormulaC20H25BrN6
Molecular Weight429.37 g/mol
Exact Mass428.13
IUPAC Name4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCCCC1CN(c2ncnc3c2c(Br)nn3C)CCN1Cc1ccccc1
InChIInChI=1S/C20H25BrN6/c1-3-7-16-13-27(11-10-26(16)12-15-8-5-4-6-9-15)20-17-18(21)24-25(2)19(17)22-14-23-20/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3
InChIKeyGSPKUZVIFNLJEF-UHFFFAOYSA-N
XLogP3.62
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
CID 133435800
6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 133435807
2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 133435785
3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(furan-2-yl)morpholine
CID 133347170
3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine
CID 133435774
7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133435762
2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315305
3-bromo-4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 133480597
3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 71851221
tert-butyl (2R)-4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499530
N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133324480

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine (CID 133435764) is 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine is CCCC1CN(c2ncnc3c2c(Br)nn3C)CCN1Cc1ccccc1.
What is the InChIKey of 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GSPKUZVIFNLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN6/c1-3-7-16-13-27(11-10-26(16)12-15-8-5-4-6-9-15)20-17-18(21)24-25(2)19(17)22-14-23-20/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3.
What are the key properties of 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 429.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133435764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).