6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C14H13BrFN3O — CID 139392492

IUPAC6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1cc(N2CCc3cnn(C)c3C2=O)c(F)cc1Br
InChIInChI=1S/C14H13BrFN3O/c1-8-5-12(11(16)6-10(8)15)19-4-3-9-7-17-18(2)13(9)14(19)20/h5-7H,3-4H2,1-2H3
InChIKeyBAFLKWITDUHCQG-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.83
Rot. Bonds1

About 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 139392492) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID139392492
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1cc(N2CCc3cnn(C)c3C2=O)c(F)cc1Br
InChIInChI=1S/C14H13BrFN3O/c1-8-5-12(11(16)6-10(8)15)19-4-3-9-7-17-18(2)13(9)14(19)20/h5-7H,3-4H2,1-2H3
InChIKeyBAFLKWITDUHCQG-UHFFFAOYSA-N
XLogP2.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-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 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 139392492) is 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is Cc1cc(N2CCc3cnn(C)c3C2=O)c(F)cc1Br.
What is the InChIKey of 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is BAFLKWITDUHCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-8-5-12(11(16)6-10(8)15)19-4-3-9-7-17-18(2)13(9)14(19)20/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 338.18 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluoro-5-methylphenyl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 139392492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).