potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide

C21H17FKN5O5S — CID 51030988

IUPACpotassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide
SMILESCNS(=O)(=O)[N-]c1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F.[K+]
InChIInChI=1S/C21H17FN5O5S.K/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2;/h3-9,11,23H,10H2,1-2H3;/q-1;+1
InChIKeyKYKJFDDJHVJFIF-UHFFFAOYSA-N
MW509.56 g/mol
LogP0.28
Rot. Bonds7

About potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide

potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide (PubChem CID 51030988) has the molecular formula C21H17FKN5O5S and a molecular weight of 509.56 g/mol. Its IUPAC name is potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide.

Molecular Properties

Compound Namepotassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide
PubChem CID51030988
Molecular FormulaC21H17FKN5O5S
Molecular Weight509.56 g/mol
Exact Mass509.06
IUPAC Namepotassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide
SMILESCNS(=O)(=O)[N-]c1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F.[K+]
InChIInChI=1S/C21H17FN5O5S.K/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2;/h3-9,11,23H,10H2,1-2H3;/q-1;+1
InChIKeyKYKJFDDJHVJFIF-UHFFFAOYSA-N
XLogP0.28
TPSA138.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide?
The IUPAC name of potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide (CID 51030988) is potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide.
What is the SMILES notation for potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide?
The canonical SMILES for potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide is CNS(=O)(=O)[N-]c1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F.[K+].
What is the InChIKey of potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide?
The InChIKey is KYKJFDDJHVJFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN5O5S.K/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2;/h3-9,11,23H,10H2,1-2H3;/q-1;+1.
What are the key properties of potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide?
potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide has a molecular weight of 509.56 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-fluoro-4-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-pyridinyl]-(methylsulfamoyl)azanide is sourced from PubChem (CID 51030988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).