[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

C16H21BrN6O — CID 133366822

IUPAC[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCn1nc(Br)c2c(NC3CCN(C(=O)C4CCCC4)C3)ncnc21
InChIInChI=1S/C16H21BrN6O/c1-22-15-12(13(17)21-22)14(18-9-19-15)20-11-6-7-23(8-11)16(24)10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,18,19,20)
InChIKeyGDQNCWHSUOHSDI-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.33
Rot. Bonds3

About [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 133366822) has the molecular formula C16H21BrN6O and a molecular weight of 393.29 g/mol. Its IUPAC name is [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID133366822
Molecular FormulaC16H21BrN6O
Molecular Weight393.29 g/mol
Exact Mass392.10
IUPAC Name[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCn1nc(Br)c2c(NC3CCN(C(=O)C4CCCC4)C3)ncnc21
InChIInChI=1S/C16H21BrN6O/c1-22-15-12(13(17)21-22)14(18-9-19-15)20-11-6-7-23(8-11)16(24)10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,18,19,20)
InChIKeyGDQNCWHSUOHSDI-UHFFFAOYSA-N
XLogP2.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

ethyl 4-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133386677
[(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
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199
3-bromo-N-(1-cyclobutylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133417810
cyclopropyl-[(3S)-3-[[9-ethyl-8-[(3R)-3-hydroxypyrrolidin-1-yl]purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168966
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 127909638
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 133409423
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133364592
6-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]amino]-N-(1-cyclopropylethyl)-9-ethylpurine-8-carboxamide
CID 134402257
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
3-bromo-N-[cyclobutyl(phenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133286346

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (CID 133366822) is [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is Cn1nc(Br)c2c(NC3CCN(C(=O)C4CCCC4)C3)ncnc21.
What is the InChIKey of [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is GDQNCWHSUOHSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN6O/c1-22-15-12(13(17)21-22)14(18-9-19-15)20-11-6-7-23(8-11)16(24)10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,18,19,20).
What are the key properties of [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
[3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 393.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 133366822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).