1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine

C11H14FIN6 — CID 130434598

IUPAC1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2CC1CCNC[C@@H]1F
InChIInChI=1S/C11H14FIN6/c12-7-3-15-2-1-6(7)4-19-11-8(9(13)18-19)10(14)16-5-17-11/h5-7,15H,1-4H2,(H2,14,16,17)/t6?,7-/m0/s1
InChIKeyHKMUWRFARLTXIP-MLWJPKLSSA-N
MW376.18 g/mol
LogP0.96
Rot. Bonds2

About 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine

1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 130434598) has the molecular formula C11H14FIN6 and a molecular weight of 376.18 g/mol. Its IUPAC name is 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID130434598
Molecular FormulaC11H14FIN6
Molecular Weight376.18 g/mol
Exact Mass376.03
IUPAC Name1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(I)nn2CC1CCNC[C@@H]1F
InChIInChI=1S/C11H14FIN6/c12-7-3-15-2-1-6(7)4-19-11-8(9(13)18-19)10(14)16-5-17-11/h5-7,15H,1-4H2,(H2,14,16,17)/t6?,7-/m0/s1
InChIKeyHKMUWRFARLTXIP-MLWJPKLSSA-N
XLogP0.96
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 50.96
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 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine (CID 130434598) is 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(I)nn2CC1CCNC[C@@H]1F.
What is the InChIKey of 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HKMUWRFARLTXIP-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H14FIN6/c12-7-3-15-2-1-6(7)4-19-11-8(9(13)18-19)10(14)16-5-17-11/h5-7,15H,1-4H2,(H2,14,16,17)/t6?,7-/m0/s1.
What are the key properties of 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine?
1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 376.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-fluoropiperidin-4-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 130434598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).