[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide

C22H19FN5O5S- — CID 59139201

IUPAC[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
SMILESCNS(=O)(=O)[N-]c1nccc(Cc2c(C)c3cc(C)c(Oc4ncccn4)cc3oc2=O)c1F
InChIInChI=1S/C22H19FN5O5S/c1-12-9-15-13(2)16(10-14-5-8-25-20(19(14)23)28-34(30,31)24-3)21(29)32-18(15)11-17(12)33-22-26-6-4-7-27-22/h4-9,11,24H,10H2,1-3H3/q-1
InChIKeyRILPPXSNGLSPGR-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.59
Rot. Bonds7

About [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide

[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide (PubChem CID 59139201) has the molecular formula C22H19FN5O5S- and a molecular weight of 484.49 g/mol. Its IUPAC name is [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide.

Molecular Properties

Compound Name[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
PubChem CID59139201
Molecular FormulaC22H19FN5O5S-
Molecular Weight484.49 g/mol
Exact Mass484.11
IUPAC Name[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
SMILESCNS(=O)(=O)[N-]c1nccc(Cc2c(C)c3cc(C)c(Oc4ncccn4)cc3oc2=O)c1F
InChIInChI=1S/C22H19FN5O5S/c1-12-9-15-13(2)16(10-14-5-8-25-20(19(14)23)28-34(30,31)24-3)21(29)32-18(15)11-17(12)33-22-26-6-4-7-27-22/h4-9,11,24H,10H2,1-3H3/q-1
InChIKeyRILPPXSNGLSPGR-UHFFFAOYSA-N
XLogP3.59
TPSA138.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
CID 59139186
3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one
CID 24754286
CID 87181285
CID 87181285
2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 87181122
3-[[3-fluoro-2-(methylaminosulfanylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 129259938
3-[[2-(aziridin-2-yl)-3-fluoro-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 166904519
7-[(3-fluoro-2-pyridinyl)oxy]-3-[[3-fluoro-2-(trideuteriomethylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
CID 169262614
5-[(6-chloro-4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-2-fluorobenzenesulfonamide
CID 89288064
3-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-5-fluoro-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 176746998
2-chloro-N-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]phenyl]acetamide
CID 171506962
7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
CID 169262607
3-[3-[[2-(dimethylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxypyridazine
CID 178170868

Frequently Asked Questions

What is the IUPAC name of [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
The IUPAC name of [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide (CID 59139201) is [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide.
What is the SMILES notation for [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
The canonical SMILES for [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide is CNS(=O)(=O)[N-]c1nccc(Cc2c(C)c3cc(C)c(Oc4ncccn4)cc3oc2=O)c1F.
What is the InChIKey of [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
The InChIKey is RILPPXSNGLSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN5O5S/c1-12-9-15-13(2)16(10-14-5-8-25-20(19(14)23)28-34(30,31)24-3)21(29)32-18(15)11-17(12)33-22-26-6-4-7-27-22/h4-9,11,24H,10H2,1-3H3/q-1.
What are the key properties of [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide has a molecular weight of 484.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide is sourced from PubChem (CID 59139201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).