2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide

C18H17FN5O3P — CID 170368347

IUPAC2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide
SMILESCOc1nn(CC(=O)Nc2ncc(C)cn2)c(=O)cc1-c1cc(F)cc(P)c1
InChIInChI=1S/C18H17FN5O3P/c1-10-7-20-18(21-8-10)22-15(25)9-24-16(26)6-14(17(23-24)27-2)11-3-12(19)5-13(28)4-11/h3-8H,9,28H2,1-2H3,(H,20,21,22,25)
InChIKeyGJJQJIILONUKMZ-UHFFFAOYSA-N
MW401.34 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide

2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide (PubChem CID 170368347) has the molecular formula C18H17FN5O3P and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide
PubChem CID170368347
Molecular FormulaC18H17FN5O3P
Molecular Weight401.34 g/mol
Exact Mass401.11
IUPAC Name2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide
SMILESCOc1nn(CC(=O)Nc2ncc(C)cn2)c(=O)cc1-c1cc(F)cc(P)c1
InChIInChI=1S/C18H17FN5O3P/c1-10-7-20-18(21-8-10)22-15(25)9-24-16(26)6-14(17(23-24)27-2)11-3-12(19)5-13(28)4-11/h3-8H,9,28H2,1-2H3,(H,20,21,22,25)
InChIKeyGJJQJIILONUKMZ-UHFFFAOYSA-N
XLogP1.30
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170368340
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162432216
2-[4-(3-fluoro-5-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170369537
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
2-(6-bromo-4-chloro-5-methoxy-1-oxophthalazin-2-yl)-N-(5-phosphanylpyrimidin-2-yl)acetamide
CID 170369644
2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
CID 167977680
N-(2,4-dichlorophenyl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51054773
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
N-(2,6-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 43816144
N-(2,4-dimethoxypyrimidin-5-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122304166
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide (CID 170368347) is 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide is COc1nn(CC(=O)Nc2ncc(C)cn2)c(=O)cc1-c1cc(F)cc(P)c1.
What is the InChIKey of 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide?
The InChIKey is GJJQJIILONUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN5O3P/c1-10-7-20-18(21-8-10)22-15(25)9-24-16(26)6-14(17(23-24)27-2)11-3-12(19)5-13(28)4-11/h3-8H,9,28H2,1-2H3,(H,20,21,22,25).
What are the key properties of 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide?
2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide has a molecular weight of 401.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 170368347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).