5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H16FN3O2 — CID 5306234

IUPAC5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16FN3O2/c1-13-19-17(11-18(25)23(13)12-14-5-3-2-4-6-14)22-24(20(19)26)16-9-7-15(21)8-10-16/h2-11,22H,12H2,1H3
InChIKeyAERIONKKSUDYPZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.98
Rot. Bonds3

About 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 5306234) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID5306234
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H16FN3O2/c1-13-19-17(11-18(25)23(13)12-14-5-3-2-4-6-14)22-24(20(19)26)16-9-7-15(21)8-10-16/h2-11,22H,12H2,1H3
InChIKeyAERIONKKSUDYPZ-UHFFFAOYSA-N
XLogP2.98
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 5306234) is 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is AERIONKKSUDYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13-19-17(11-18(25)23(13)12-14-5-3-2-4-6-14)22-24(20(19)26)16-9-7-15(21)8-10-16/h2-11,22H,12H2,1H3.
What are the key properties of 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 349.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 5306234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).