3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C15H22BrN5 — CID 97257166

IUPAC3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCC[C@H](C)[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C15H22BrN5/c1-4-10(2)11-7-5-6-8-21(11)15-12-13(16)19-20(3)14(12)17-9-18-15/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyIRDALKRAZCSZAF-WDEREUQCSA-N
MW352.28 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 97257166) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID97257166
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCC[C@H](C)[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C15H22BrN5/c1-4-10(2)11-7-5-6-8-21(11)15-12-13(16)19-20(3)14(12)17-9-18-15/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyIRDALKRAZCSZAF-WDEREUQCSA-N
XLogP3.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.53
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-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
(2S)-2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 96541906
2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315305
3-bromo-N-(1-cyclobutylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133417810
7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 98856258
2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347782
[(1S,2S)-2-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cycloheptyl]methanol
CID 97009674
[(1S,2R)-2-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cycloheptyl]methanol
CID 97009673
4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
CID 133435764
3-bromo-4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 133480597
[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366822

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 97257166) is 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is CC[C@H](C)[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C.
What is the InChIKey of 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is IRDALKRAZCSZAF-WDEREUQCSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-4-10(2)11-7-5-6-8-21(11)15-12-13(16)19-20(3)14(12)17-9-18-15/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 352.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2R)-2-[(2S)-butan-2-yl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 97257166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).