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

C24H23FN6O3 — CID 16847086

IUPACN-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1
InChIInChI=1S/C24H23FN6O3/c1-14(2)22-20-12-26-31(19-9-7-16(25)8-10-19)23(20)24(34)30(29-22)13-21(33)28-18-6-4-5-17(11-18)27-15(3)32/h4-12,14H,13H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyCOPKWJIMUHILST-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.44
Rot. Bonds6

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

N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide (PubChem CID 16847086) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
PubChem CID16847086
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC NameN-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1
InChIInChI=1S/C24H23FN6O3/c1-14(2)22-20-12-26-31(19-9-7-16(25)8-10-19)23(20)24(34)30(29-22)13-21(33)28-18-6-4-5-17(11-18)27-15(3)32/h4-12,14H,13H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyCOPKWJIMUHILST-UHFFFAOYSA-N
XLogP3.44
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847133
N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847059
2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)acetamide
CID 16847293
N-(3,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847073
N-(2,4-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847058
N-(2,5-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847072
N-(3,4-dimethoxyphenyl)-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846958
N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846937
2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-naphthalen-1-ylacetamide
CID 16847282
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814
N-(3-acetamidophenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882882
6-[(3,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847145

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide (CID 16847086) is N-(3-acetamidophenyl)-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-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The InChIKey is COPKWJIMUHILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-14(2)22-20-12-26-31(19-9-7-16(25)8-10-19)23(20)24(34)30(29-22)13-21(33)28-18-6-4-5-17(11-18)27-15(3)32/h4-12,14H,13H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide has a molecular weight of 462.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide is sourced from PubChem (CID 16847086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).