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

C19H17F2N5O2 — CID 162432235

IUPAC2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncccn2)c(=O)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F2N5O2/c1-11(2)18-15(12-6-13(20)8-14(21)7-12)9-17(28)26(25-18)10-16(27)24-19-22-4-3-5-23-19/h3-9,11H,10H2,1-2H3,(H,22,23,24,27)
InChIKeyVSBTUQVYMIXISB-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.74
Rot. Bonds5

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

2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 162432235) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID162432235
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ncccn2)c(=O)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F2N5O2/c1-11(2)18-15(12-6-13(20)8-14(21)7-12)9-17(28)26(25-18)10-16(27)24-19-22-4-3-5-23-19/h3-9,11H,10H2,1-2H3,(H,22,23,24,27)
InChIKeyVSBTUQVYMIXISB-UHFFFAOYSA-N
XLogP2.74
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.74
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-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide (CID 162432235) is 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide is CC(C)c1nn(CC(=O)Nc2ncccn2)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-pyrimidin-2-ylacetamide?
The InChIKey is VSBTUQVYMIXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-11(2)18-15(12-6-13(20)8-14(21)7-12)9-17(28)26(25-18)10-16(27)24-19-22-4-3-5-23-19/h3-9,11H,10H2,1-2H3,(H,22,23,24,27).
What are the key properties of 2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide?
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 385.37 g/mol, XLogP of 2.74, 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-pyrimidin-2-ylacetamide is sourced from PubChem (CID 162432235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).