4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C13H12FN3O — CID 3244445

IUPAC4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(c1ccccc1F)CC(=O)N2
InChIInChI=1S/C13H12FN3O/c1-7-12-9(8-4-2-3-5-10(8)14)6-11(18)15-13(12)17-16-7/h2-5,9H,6H2,1H3,(H2,15,16,17,18)
InChIKeyLRUBLHAUBIRNHW-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.33
Rot. Bonds1

About 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 3244445) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID3244445
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(c1ccccc1F)CC(=O)N2
InChIInChI=1S/C13H12FN3O/c1-7-12-9(8-4-2-3-5-10(8)14)6-11(18)15-13(12)17-16-7/h2-5,9H,6H2,1H3,(H2,15,16,17,18)
InChIKeyLRUBLHAUBIRNHW-UHFFFAOYSA-N
XLogP2.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 3244445) is 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1[nH]nc2c1C(c1ccccc1F)CC(=O)N2.
What is the InChIKey of 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is LRUBLHAUBIRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-7-12-9(8-4-2-3-5-10(8)14)6-11(18)15-13(12)17-16-7/h2-5,9H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 245.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 3244445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).