2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide

C15H10BrF2N5O2 — CID 162731825

IUPAC2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c2ccc(Br)c(F)c12
InChIInChI=1S/C15H10BrF2N5O2/c1-7-12-9(2-3-10(16)13(12)18)14(25)23(22-7)6-11(24)21-15-19-4-8(17)5-20-15/h2-5H,6H2,1H3,(H,19,20,21,24)
InChIKeyFNAYLDNOKNZQOB-UHFFFAOYSA-N
MW410.18 g/mol
LogP2.17
Rot. Bonds3

About 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide

2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 162731825) has the molecular formula C15H10BrF2N5O2 and a molecular weight of 410.18 g/mol. Its IUPAC name is 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID162731825
Molecular FormulaC15H10BrF2N5O2
Molecular Weight410.18 g/mol
Exact Mass409.00
IUPAC Name2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c2ccc(Br)c(F)c12
InChIInChI=1S/C15H10BrF2N5O2/c1-7-12-9(2-3-10(16)13(12)18)14(25)23(22-7)6-11(24)21-15-19-4-8(17)5-20-15/h2-5H,6H2,1H3,(H,19,20,21,24)
InChIKeyFNAYLDNOKNZQOB-UHFFFAOYSA-N
XLogP2.17
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide (CID 162731825) is 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ncc(F)cn2)c(=O)c2ccc(Br)c(F)c12.
What is the InChIKey of 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is FNAYLDNOKNZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N5O2/c1-7-12-9(2-3-10(16)13(12)18)14(25)23(22-7)6-11(24)21-15-19-4-8(17)5-20-15/h2-5H,6H2,1H3,(H,19,20,21,24).
What are the key properties of 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide?
2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 410.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-fluoro-4-methyl-1-oxophthalazin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 162731825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).