N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C19H17FIN5O2 — CID 170368141

IUPACN-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)cc1-c1cccc(I)c1
InChIInChI=1S/C19H17FIN5O2/c1-11(2)18-14(12-4-3-5-13(21)6-12)7-17(28)26(25-18)9-16(27)24-19-15(20)8-22-10-23-19/h3-8,10-11H,9H2,1-2H3,(H,22,23,24,27)
InChIKeyVUAZJZGSNYUDEJ-UHFFFAOYSA-N
MW493.28 g/mol
LogP3.21
Rot. Bonds5

About N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 170368141) has the molecular formula C19H17FIN5O2 and a molecular weight of 493.28 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID170368141
Molecular FormulaC19H17FIN5O2
Molecular Weight493.28 g/mol
Exact Mass493.04
IUPAC NameN-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)cc1-c1cccc(I)c1
InChIInChI=1S/C19H17FIN5O2/c1-11(2)18-14(12-4-3-5-13(21)6-12)7-17(28)26(25-18)9-16(27)24-19-15(20)8-22-10-23-19/h3-8,10-11H,9H2,1-2H3,(H,22,23,24,27)
InChIKeyVUAZJZGSNYUDEJ-UHFFFAOYSA-N
XLogP3.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-fluoro-5-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170369537
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162432216
2-(6-bromo-8-fluoro-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162731916
2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170077984
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578
2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318856
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-[6-bromo-1-oxo-4-(trifluoromethoxy)phthalazin-2-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162731808
2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170369188
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162731803
2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170368340
2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
CID 170368231

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 170368141) is N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)cc1-c1cccc(I)c1.
What is the InChIKey of N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is VUAZJZGSNYUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FIN5O2/c1-11(2)18-14(12-4-3-5-13(21)6-12)7-17(28)26(25-18)9-16(27)24-19-15(20)8-22-10-23-19/h3-8,10-11H,9H2,1-2H3,(H,22,23,24,27).
What are the key properties of N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 493.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 170368141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).