6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C20H25N7 — CID 134704668

IUPAC6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(N3C[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)nc21
InChIInChI=1S/C20H25N7/c1-25-19-17(9-22-25)18(21)23-20(24-19)27-12-15-7-8-16(27)13-26(11-15)10-14-5-3-2-4-6-14/h2-6,9,15-16H,7-8,10-13H2,1H3,(H2,21,23,24)/t15-,16+/m1/s1
InChIKeyBBQRHYHIUWEPTM-CVEARBPZSA-N
MW363.47 g/mol
LogP2.05
Rot. Bonds3

About 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 134704668) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID134704668
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(N3C[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)nc21
InChIInChI=1S/C20H25N7/c1-25-19-17(9-22-25)18(21)23-20(24-19)27-12-15-7-8-16(27)13-26(11-15)10-14-5-3-2-4-6-14/h2-6,9,15-16H,7-8,10-13H2,1H3,(H2,21,23,24)/t15-,16+/m1/s1
InChIKeyBBQRHYHIUWEPTM-CVEARBPZSA-N
XLogP2.05
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-7-methylpurine
CID 162629522
4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 139027454
6-benzyl-3-[(1,5-dimethylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 156603160
(2-amino-4-methylpyrimidin-5-yl)-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133125685
3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 50896418
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
(1S,5R)-3-benzyl-6-[(5-ethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72892585
(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70723250
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
(1S,5R)-3-benzyl-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72866424
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72923876

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 134704668) is 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(N3C[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)nc21.
What is the InChIKey of 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BBQRHYHIUWEPTM-CVEARBPZSA-N. The full InChI is InChI=1S/C20H25N7/c1-25-19-17(9-22-25)18(21)23-20(24-19)27-12-15-7-8-16(27)13-26(11-15)10-14-5-3-2-4-6-14/h2-6,9,15-16H,7-8,10-13H2,1H3,(H2,21,23,24)/t15-,16+/m1/s1.
What are the key properties of 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134704668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).