3-iodo-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HCID 22347183

Notes Reactions

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Basic information

CAS: 330794-06-4
Standard SMILES: CN1CCC(n2nc(I)c3c(N)ncnc32)CC1
InChIKey: COHNYAIFXMTUNC-UHFFFAOYSA-N
Molecular formula: C11H15IN6
Average molar mass: 358.18 g/mol
Monoisotopic mass: 358.04029248

Names & identifiers

Preferred name: 3-iodo-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC: 3-iodo-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL4825086COHNYAIFXMTUNC-UHFFFAOYSA-NDTXSID3011559503-iodo-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine330794-06-43-Iodo-1-(1-methyl-4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine3-Iodo-1-(1-methylpiperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Database identifiers

CAS: 330794-06-4
PubChem CID: 22347183
DTXSID: DTXSID301155950

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 295

Related reactions

22 records

New reaction record

HRID 213289As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 432466As productuspto-grants-2003_12

HRID 432467As reactantuspto-grants-2003_12

HRID 432492As productuspto-grants-2003_12

HRID 432493As reactantuspto-grants-2003_12

HRID 692551As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 814591As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 820559As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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