5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine

C25H17FIN3 — CID 176620839

IUPAC5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine
SMILESFc1cnc2c(c1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H17FIN3/c26-21-16-22-23(27)29-30(24(22)28-17-21)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeySSVGZPFZZHJWSF-UHFFFAOYSA-N
MW505.33 g/mol
LogP6.02
Rot. Bonds4

About 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine

5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine (PubChem CID 176620839) has the molecular formula C25H17FIN3 and a molecular weight of 505.33 g/mol. Its IUPAC name is 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine
PubChem CID176620839
Molecular FormulaC25H17FIN3
Molecular Weight505.33 g/mol
Exact Mass505.05
IUPAC Name5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine
SMILESFc1cnc2c(c1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H17FIN3/c26-21-16-22-23(27)29-30(24(22)28-17-21)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeySSVGZPFZZHJWSF-UHFFFAOYSA-N
XLogP6.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.33
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine (CID 176620839) is 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine is Fc1cnc2c(c1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine?
The InChIKey is SSVGZPFZZHJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FIN3/c26-21-16-22-23(27)29-30(24(22)28-17-21)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine?
5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine has a molecular weight of 505.33 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 176620839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).