5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C13H9ClFN3O2 — CID 17355008

IUPAC5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cl
InChIInChI=1S/C13H9ClFN3O2/c1-6-10(14)11(19)9-12(16-6)17-18(13(9)20)8-4-2-7(15)3-5-8/h2-5H,1H3,(H2,16,17,19)
InChIKeyDWIXKRLDEQFXOI-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.11
Rot. Bonds1

About 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 17355008) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID17355008
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cl
InChIInChI=1S/C13H9ClFN3O2/c1-6-10(14)11(19)9-12(16-6)17-18(13(9)20)8-4-2-7(15)3-5-8/h2-5H,1H3,(H2,16,17,19)
InChIKeyDWIXKRLDEQFXOI-UHFFFAOYSA-N
XLogP2.11
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 17355008) is 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is Cc1[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cl.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is DWIXKRLDEQFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c1-6-10(14)11(19)9-12(16-6)17-18(13(9)20)8-4-2-7(15)3-5-8/h2-5H,1H3,(H2,16,17,19).
What are the key properties of 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 293.69 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 17355008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).