4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H12BrClFN5O — CID 135655055

IUPAC4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(Cl)nn2)c2c1C(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C17H12BrClFN5O/c1-8-16-11(10-6-9(18)2-3-12(10)20)7-15(26)21-17(16)25(24-8)14-5-4-13(19)22-23-14/h2-6,11H,7H2,1H3,(H,21,26)
InChIKeyOVMMDXWEQLLMBR-UHFFFAOYSA-N
MW436.67 g/mol
LogP4.00
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655055) has the molecular formula C17H12BrClFN5O and a molecular weight of 436.67 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135655055
Molecular FormulaC17H12BrClFN5O
Molecular Weight436.67 g/mol
Exact Mass434.99
IUPAC Name4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(Cl)nn2)c2c1C(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C17H12BrClFN5O/c1-8-16-11(10-6-9(18)2-3-12(10)20)7-15(26)21-17(16)25(24-8)14-5-4-13(19)22-23-14/h2-6,11H,7H2,1H3,(H,21,26)
InChIKeyOVMMDXWEQLLMBR-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.67
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-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-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135655055) is 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(Cl)nn2)c2c1C(c1cc(Br)ccc1F)CC(=O)N2.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OVMMDXWEQLLMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN5O/c1-8-16-11(10-6-9(18)2-3-12(10)20)7-15(26)21-17(16)25(24-8)14-5-4-13(19)22-23-14/h2-6,11H,7H2,1H3,(H,21,26).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 436.67 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).