3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one

C31H22FN3O — CID 135829582

IUPAC3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H22FN3O/c32-26-18-10-11-22(21-26)29-28-27(19-20-33-30(28)36)35(34-29)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-21H,(H,33,36)
InChIKeyMAFXNJMXGCVYEU-UHFFFAOYSA-N
MW471.54 g/mol
LogP6.37
Rot. Bonds5

About 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one

3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 135829582) has the molecular formula C31H22FN3O and a molecular weight of 471.54 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID135829582
Molecular FormulaC31H22FN3O
Molecular Weight471.54 g/mol
Exact Mass471.17
IUPAC Name3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H22FN3O/c32-26-18-10-11-22(21-26)29-28-27(19-20-33-30(28)36)35(34-29)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-21H,(H,33,36)
InChIKeyMAFXNJMXGCVYEU-UHFFFAOYSA-N
XLogP6.37
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 56.37
H-Bond Donors ≤ 51
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-trityl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 135829582) is 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one is O=c1[nH]ccc2c1c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is MAFXNJMXGCVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN3O/c32-26-18-10-11-22(21-26)29-28-27(19-20-33-30(28)36)35(34-29)31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-21H,(H,33,36).
What are the key properties of 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one?
3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 471.54 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 135829582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).