2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C18H17F2N5O2P2 — CID 170368340

IUPAC2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCc1cc(F)cc(-c2cc(=O)n(CC(=O)Nc3ncc(F)cn3)nc2C(P)P)c1
InChIInChI=1S/C18H17F2N5O2P2/c1-9-2-10(4-11(19)3-9)13-5-15(27)25(24-16(13)17(28)29)8-14(26)23-18-21-6-12(20)7-22-18/h2-7,17H,8,28-29H2,1H3,(H,21,22,23,26)
InChIKeyUSYXGXQSSMWHNK-UHFFFAOYSA-N
MW435.31 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 170368340) has the molecular formula C18H17F2N5O2P2 and a molecular weight of 435.31 g/mol. Its IUPAC name is 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID170368340
Molecular FormulaC18H17F2N5O2P2
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC Name2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCc1cc(F)cc(-c2cc(=O)n(CC(=O)Nc3ncc(F)cn3)nc2C(P)P)c1
InChIInChI=1S/C18H17F2N5O2P2/c1-9-2-10(4-11(19)3-9)13-5-15(27)25(24-16(13)17(28)29)8-14(26)23-18-21-6-12(20)7-22-18/h2-7,17H,8,28-29H2,1H3,(H,21,22,23,26)
InChIKeyUSYXGXQSSMWHNK-UHFFFAOYSA-N
XLogP2.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-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

Related Compounds

2-[4-(3-fluoro-5-phosphanylphenyl)-3-methoxy-6-oxopyridazin-1-yl]-N-(5-methylpyrimidin-2-yl)acetamide
CID 170368347
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-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 169318895
N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368141
2-[6-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162731842
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 170368340) is 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is Cc1cc(F)cc(-c2cc(=O)n(CC(=O)Nc3ncc(F)cn3)nc2C(P)P)c1.
What is the InChIKey of 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is USYXGXQSSMWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2P2/c1-9-2-10(4-11(19)3-9)13-5-15(27)25(24-16(13)17(28)29)8-14(26)23-18-21-6-12(20)7-22-18/h2-7,17H,8,28-29H2,1H3,(H,21,22,23,26).
What are the key properties of 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 435.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(phosphanyl)methyl]-4-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 170368340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).