3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine

C31H22FN3 — CID 68926980

IUPAC3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccncc23)c1
InChIInChI=1S/C31H22FN3/c32-27-18-10-11-23(21-27)30-28-22-33-20-19-29(28)35(34-30)31(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H
InChIKeyQJRVOPMXQXEHDL-UHFFFAOYSA-N
MW455.54 g/mol
LogP7.08
Rot. Bonds5

About 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine

3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 68926980) has the molecular formula C31H22FN3 and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID68926980
Molecular FormulaC31H22FN3
Molecular Weight455.54 g/mol
Exact Mass455.18
IUPAC Name3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccncc23)c1
InChIInChI=1S/C31H22FN3/c32-27-18-10-11-23(21-27)30-28-22-33-20-19-29(28)35(34-30)31(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H
InChIKeyQJRVOPMXQXEHDL-UHFFFAOYSA-N
XLogP7.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine (CID 68926980) is 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine is Fc1cccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccncc23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is QJRVOPMXQXEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN3/c32-27-18-10-11-23(21-27)30-28-22-33-20-19-29(28)35(34-30)31(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H.
What are the key properties of 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine?
3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 455.54 g/mol, XLogP of 7.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 68926980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).