3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C11H15IN6 — CID 118579175

IUPAC3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCC[C@@H](n2nc(I)c3c(N)ncnc32)C1
InChIInChI=1S/C11H15IN6/c1-17-4-2-3-7(5-17)18-11-8(9(12)16-18)10(13)14-6-15-11/h6-7H,2-5H2,1H3,(H2,13,14,15)/t7-/m1/s1
InChIKeyZKFARGZMTGEUOM-SSDOTTSWSA-N
MW358.19 g/mol
LogP1.28
Rot. Bonds1

About 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118579175) has the molecular formula C11H15IN6 and a molecular weight of 358.19 g/mol. Its IUPAC name is 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID118579175
Molecular FormulaC11H15IN6
Molecular Weight358.19 g/mol
Exact Mass358.04
IUPAC Name3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCC[C@@H](n2nc(I)c3c(N)ncnc32)C1
InChIInChI=1S/C11H15IN6/c1-17-4-2-3-7(5-17)18-11-8(9(12)16-18)10(13)14-6-15-11/h6-7H,2-5H2,1H3,(H2,13,14,15)/t7-/m1/s1
InChIKeyZKFARGZMTGEUOM-SSDOTTSWSA-N
XLogP1.28
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]but-2-yn-1-one
CID 175016703
1-[(3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-one
CID 134259429
3-iodo-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 97035701
N-[4-[4-amino-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine;3-iodo-1-(1-methylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161183767
copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
CID 175873270
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778
2-[(1R,3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]acetic acid
CID 154996492
1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 176774277
1-cyclohex-2-en-1-yl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 135356347
[1-[3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]-methylcarbamic acid
CID 70167543
1-[(3S)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 131733331
3-iodo-1-[4-(2-methoxyethoxy)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58597231

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 118579175) is 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCC[C@@H](n2nc(I)c3c(N)ncnc32)C1.
What is the InChIKey of 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZKFARGZMTGEUOM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15IN6/c1-17-4-2-3-7(5-17)18-11-8(9(12)16-18)10(13)14-6-15-11/h6-7H,2-5H2,1H3,(H2,13,14,15)/t7-/m1/s1.
What are the key properties of 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 358.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118579175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).