3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine

C26H19F2N3O — CID 175870619

IUPAC3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine
SMILESFC(F)Oc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccnc12
InChIInChI=1S/C26H19F2N3O/c27-25(28)32-24-23-22(17-10-18-29-23)31(30-24)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,25H
InChIKeyAAKJNSLMRDFZPY-UHFFFAOYSA-N
MW427.45 g/mol
LogP5.87
Rot. Bonds6

About 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine

3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine (PubChem CID 175870619) has the molecular formula C26H19F2N3O and a molecular weight of 427.45 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine
PubChem CID175870619
Molecular FormulaC26H19F2N3O
Molecular Weight427.45 g/mol
Exact Mass427.15
IUPAC Name3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine
SMILESFC(F)Oc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccnc12
InChIInChI=1S/C26H19F2N3O/c27-25(28)32-24-23-22(17-10-18-29-23)31(30-24)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,25H
InChIKeyAAKJNSLMRDFZPY-UHFFFAOYSA-N
XLogP5.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine (CID 175870619) is 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine is FC(F)Oc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccnc12.
What is the InChIKey of 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine?
The InChIKey is AAKJNSLMRDFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O/c27-25(28)32-24-23-22(17-10-18-29-23)31(30-24)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,25H.
What are the key properties of 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine?
3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine has a molecular weight of 427.45 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-tritylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 175870619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).