N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide

C24H24FN5O2 — CID 16847059

IUPACN-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1
InChIInChI=1S/C24H24FN5O2/c1-14(2)22-20-12-26-30(19-7-5-17(25)6-8-19)23(20)24(32)29(28-22)13-21(31)27-18-10-15(3)9-16(4)11-18/h5-12,14H,13H2,1-4H3,(H,27,31)
InChIKeyVLBNZSVLPVXCIA-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.10
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide

N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide (PubChem CID 16847059) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
PubChem CID16847059
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1
InChIInChI=1S/C24H24FN5O2/c1-14(2)22-20-12-26-30(19-7-5-17(25)6-8-19)23(20)24(32)29(28-22)13-21(31)27-18-10-15(3)9-16(4)11-18/h5-12,14H,13H2,1-4H3,(H,27,31)
InChIKeyVLBNZSVLPVXCIA-UHFFFAOYSA-N
XLogP4.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide 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 N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide (CID 16847059) is N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The InChIKey is VLBNZSVLPVXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-14(2)22-20-12-26-30(19-7-5-17(25)6-8-19)23(20)24(32)29(28-22)13-21(31)27-18-10-15(3)9-16(4)11-18/h5-12,14H,13H2,1-4H3,(H,27,31).
What are the key properties of N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide is sourced from PubChem (CID 16847059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).