2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C19H15F4N5O2 — CID 162731783

IUPAC2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(C(F)F)c2c(F)c(C3CCC3)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C19H15F4N5O2/c20-10-6-24-19(25-7-10)26-13(29)8-28-18(30)12-5-4-11(9-2-1-3-9)15(21)14(12)16(27-28)17(22)23/h4-7,9,17H,1-3,8H2,(H,24,25,26,29)
InChIKeyFGGVQAOLLWYRKM-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.31
Rot. Bonds5

About 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 162731783) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID162731783
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Name2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(C(F)F)c2c(F)c(C3CCC3)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C19H15F4N5O2/c20-10-6-24-19(25-7-10)26-13(29)8-28-18(30)12-5-4-11(9-2-1-3-9)15(21)14(12)16(27-28)17(22)23/h4-7,9,17H,1-3,8H2,(H,24,25,26,29)
InChIKeyFGGVQAOLLWYRKM-UHFFFAOYSA-N
XLogP3.31
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 162731783) is 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is O=C(Cn1nc(C(F)F)c2c(F)c(C3CCC3)ccc2c1=O)Nc1ncc(F)cn1.
What is the InChIKey of 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is FGGVQAOLLWYRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c20-10-6-24-19(25-7-10)26-13(29)8-28-18(30)12-5-4-11(9-2-1-3-9)15(21)14(12)16(27-28)17(22)23/h4-7,9,17H,1-3,8H2,(H,24,25,26,29).
What are the key properties of 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 421.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 162731783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).