5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

C23H21FN6O2 — CID 163360965

IUPAC5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)CC4=O)cc3)n[nH]c2cc1=O
InChIInChI=1S/C23H21FN6O2/c1-14-4-3-5-17(24)23(14)30-19(31)12-18-22(27-30)21(26-25-18)15-6-8-16(9-7-15)29-11-10-28(2)13-20(29)32/h3-9,12,25H,10-11,13H2,1-2H3
InChIKeySRZYOSQJSSPGDH-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.50
Rot. Bonds3

About 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163360965) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163360965
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)CC4=O)cc3)n[nH]c2cc1=O
InChIInChI=1S/C23H21FN6O2/c1-14-4-3-5-17(24)23(14)30-19(31)12-18-22(27-30)21(26-25-18)15-6-8-16(9-7-15)29-11-10-28(2)13-20(29)32/h3-9,12,25H,10-11,13H2,1-2H3
InChIKeySRZYOSQJSSPGDH-UHFFFAOYSA-N
XLogP2.50
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-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 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163360965) is 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(-c3ccc(N4CCN(C)CC4=O)cc3)n[nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is SRZYOSQJSSPGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-14-4-3-5-17(24)23(14)30-19(31)12-18-22(27-30)21(26-25-18)15-6-8-16(9-7-15)29-11-10-28(2)13-20(29)32/h3-9,12,25H,10-11,13H2,1-2H3.
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 432.46 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163360965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).