3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C10H13IN6 — CID 22346693

IUPAC3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2C1CCNCC1
InChIInChI=1S/C10H13IN6/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H2,12,14,15)
InChIKeyLTMHLKRFPINCLX-UHFFFAOYSA-N
MW344.16 g/mol
LogP0.94
Rot. Bonds1

About 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 22346693) has the molecular formula C10H13IN6 and a molecular weight of 344.16 g/mol. Its IUPAC name is 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID22346693
Molecular FormulaC10H13IN6
Molecular Weight344.16 g/mol
Exact Mass344.02
IUPAC Name3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2C1CCNCC1
InChIInChI=1S/C10H13IN6/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H2,12,14,15)
InChIKeyLTMHLKRFPINCLX-UHFFFAOYSA-N
XLogP0.94
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 22346693) is 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(I)nn2C1CCNCC1.
What is the InChIKey of 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LTMHLKRFPINCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN6/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H2,12,14,15).
What are the key properties of 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 344.16 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 22346693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).