3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H24BrN5 — CID 133380766

IUPAC3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCC(C)CCC1CCN(c2ncnc3c2c(Br)nn3C)CC1
InChIInChI=1S/C16H24BrN5/c1-11(2)4-5-12-6-8-22(9-7-12)16-13-14(17)20-21(3)15(13)18-10-19-16/h10-12H,4-9H2,1-3H3
InChIKeyQLQJZUOMSNSIQL-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.78
Rot. Bonds4

About 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 133380766) has the molecular formula C16H24BrN5 and a molecular weight of 366.31 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID133380766
Molecular FormulaC16H24BrN5
Molecular Weight366.31 g/mol
Exact Mass365.12
IUPAC Name3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCC(C)CCC1CCN(c2ncnc3c2c(Br)nn3C)CC1
InChIInChI=1S/C16H24BrN5/c1-11(2)4-5-12-6-8-22(9-7-12)16-13-14(17)20-21(3)15(13)18-10-19-16/h10-12H,4-9H2,1-3H3
InChIKeyQLQJZUOMSNSIQL-UHFFFAOYSA-N
XLogP3.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 71851221
3-bromo-4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 133480597
2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315305
3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 97257166
2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476702
(2S)-2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 96541906
4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
CID 133435764
4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(furan-2-yl)morpholine
CID 133347170
tert-butyl (2R)-4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499530
4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444242
2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422516
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 133380766) is 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is CC(C)CCC1CCN(c2ncnc3c2c(Br)nn3C)CC1.
What is the InChIKey of 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is QLQJZUOMSNSIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN5/c1-11(2)4-5-12-6-8-22(9-7-12)16-13-14(17)20-21(3)15(13)18-10-19-16/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 366.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133380766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).