5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine

C11H7FIN5 — CID 71187326

IUPAC5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine
SMILESFc1cnc2c(c1)c(I)nn2Cc1cncnc1
InChIInChI=1S/C11H7FIN5/c12-8-1-9-10(13)17-18(11(9)16-4-8)5-7-2-14-6-15-3-7/h1-4,6H,5H2
InChIKeyUQRLDWNFRDBBQI-UHFFFAOYSA-N
MW355.11 g/mol
LogP2.01
Rot. Bonds2

About 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine

5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine (PubChem CID 71187326) has the molecular formula C11H7FIN5 and a molecular weight of 355.11 g/mol. Its IUPAC name is 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine
PubChem CID71187326
Molecular FormulaC11H7FIN5
Molecular Weight355.11 g/mol
Exact Mass354.97
IUPAC Name5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine
SMILESFc1cnc2c(c1)c(I)nn2Cc1cncnc1
InChIInChI=1S/C11H7FIN5/c12-8-1-9-10(13)17-18(11(9)16-4-8)5-7-2-14-6-15-3-7/h1-4,6H,5H2
InChIKeyUQRLDWNFRDBBQI-UHFFFAOYSA-N
XLogP2.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine (CID 71187326) is 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine is Fc1cnc2c(c1)c(I)nn2Cc1cncnc1.
What is the InChIKey of 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is UQRLDWNFRDBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FIN5/c12-8-1-9-10(13)17-18(11(9)16-4-8)5-7-2-14-6-15-3-7/h1-4,6H,5H2.
What are the key properties of 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine?
5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 355.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 71187326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).