1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine

C12H14N4O2S — CID 98047097

IUPAC1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2cnn(C3C[C@H]4C[C@@H]4C3)c2n1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)12-13-5-9-6-14-16(11(9)15-12)10-3-7-2-8(7)4-10/h5-8,10H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyVZJSTZPYFYERBO-HTQZYQBOSA-N
MW278.34 g/mol
LogP1.20
Rot. Bonds2

About 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine

1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine (PubChem CID 98047097) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
PubChem CID98047097
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2cnn(C3C[C@H]4C[C@@H]4C3)c2n1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)12-13-5-9-6-14-16(11(9)15-12)10-3-7-2-8(7)4-10/h5-8,10H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyVZJSTZPYFYERBO-HTQZYQBOSA-N
XLogP1.20
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine with MolForge

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Related Compounds

6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 131865944
8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 146673939
1-cycloheptyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 24959348
6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83919864
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575
methyl 3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1-carboxylate
CID 165171718
2-methylsulfonyl-8H-pyrimido[4,5-d]pyrimidin-7-one
CID 141021243
1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
CID 166981646
3-(7-ethyl-2-methylsulfonyl-8-oxopurin-9-yl)cyclobutane-1-carbonitrile
CID 156889816
1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine
CID 24958986
8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 169257579
(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine
CID 163304288

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine (CID 98047097) is 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine is CS(=O)(=O)c1ncc2cnn(C3C[C@H]4C[C@@H]4C3)c2n1.
What is the InChIKey of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
The InChIKey is VZJSTZPYFYERBO-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-19(17,18)12-13-5-9-6-14-16(11(9)15-12)10-3-7-2-8(7)4-10/h5-8,10H,2-4H2,1H3/t7-,8-/m1/s1.
What are the key properties of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine has a molecular weight of 278.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]-6-methylsulfonylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 98047097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).