5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol

C10H14IN5O — CID 165404172

IUPAC5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol
SMILESNc1ncnc2c1c(I)nn2CCCCCO
InChIInChI=1S/C10H14IN5O/c11-8-7-9(12)13-6-14-10(7)16(15-8)4-2-1-3-5-17/h6,17H,1-5H2,(H2,12,13,14)
InChIKeyQUKZKJPFVOFKQY-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.18
Rot. Bonds5

About 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol

5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol (PubChem CID 165404172) has the molecular formula C10H14IN5O and a molecular weight of 347.16 g/mol. Its IUPAC name is 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol
PubChem CID165404172
Molecular FormulaC10H14IN5O
Molecular Weight347.16 g/mol
Exact Mass347.02
IUPAC Name5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol
SMILESNc1ncnc2c1c(I)nn2CCCCCO
InChIInChI=1S/C10H14IN5O/c11-8-7-9(12)13-6-14-10(7)16(15-8)4-2-1-3-5-17/h6,17H,1-5H2,(H2,12,13,14)
InChIKeyQUKZKJPFVOFKQY-UHFFFAOYSA-N
XLogP1.18
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)propyl]-N-methylcarbamate
CID 121423008
3-[4-amino-3-(4-aminophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol
CID 66991555
3-iodo-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine
CID 155672394
1-(1,3-difluoropropan-2-yl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 58597176
[4-[(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)methyl]phenyl]methyl carbamate
CID 175533263
1-bromo-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 162718026
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
3-iodo-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 97035701
1-(2,2-diethoxyethyl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 122705250
3-iodo-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71217432
2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol
CID 67403216
3-iodo-1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160661826

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol?
The IUPAC name of 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol (CID 165404172) is 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol is Nc1ncnc2c1c(I)nn2CCCCCO.
What is the InChIKey of 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol?
The InChIKey is QUKZKJPFVOFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN5O/c11-8-7-9(12)13-6-14-10(7)16(15-8)4-2-1-3-5-17/h6,17H,1-5H2,(H2,12,13,14).
What are the key properties of 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol?
5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol has a molecular weight of 347.16 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentan-1-ol is sourced from PubChem (CID 165404172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).