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

C19H16F3N5O2 — CID 162432216

IUPAC2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H16F3N5O2/c1-10(2)18-14(11-3-12(20)5-13(21)4-11)6-17(29)27(26-18)8-16(28)25-19-15(22)7-23-9-24-19/h3-7,9-10H,8H2,1-2H3,(H,23,24,25,28)
InChIKeyZTRYCRVBTIKZKG-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.88
Rot. Bonds5

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

2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide (PubChem CID 162432216) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
PubChem CID162432216
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H16F3N5O2/c1-10(2)18-14(11-3-12(20)5-13(21)4-11)6-17(29)27(26-18)8-16(28)25-19-15(22)7-23-9-24-19/h3-7,9-10H,8H2,1-2H3,(H,23,24,25,28)
InChIKeyZTRYCRVBTIKZKG-UHFFFAOYSA-N
XLogP2.88
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
The IUPAC name of 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide (CID 162432216) is 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ncncc2F)c(=O)cc1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
The InChIKey is ZTRYCRVBTIKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-10(2)18-14(11-3-12(20)5-13(21)4-11)6-17(29)27(26-18)8-16(28)25-19-15(22)7-23-9-24-19/h3-7,9-10H,8H2,1-2H3,(H,23,24,25,28).
What are the key properties of 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide?
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide has a molecular weight of 403.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide is sourced from PubChem (CID 162432216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).