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

C23H21FN5O5S- — CID 59139186

IUPAC[4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
SMILESCCc1c(Cc2ccnc([N-]S(=O)(=O)NC)c2F)c(=O)oc2cc(Oc3ncccn3)c(C)cc12
InChIInChI=1S/C23H21FN5O5S/c1-4-15-16-10-13(2)18(34-23-27-7-5-8-28-23)12-19(16)33-22(30)17(15)11-14-6-9-26-21(20(14)24)29-35(31,32)25-3/h5-10,12,25H,4,11H2,1-3H3/q-1
InChIKeyMVBSXMHAVKVAJE-UHFFFAOYSA-N
MW498.52 g/mol
LogP3.84
Rot. Bonds8

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

[4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide (PubChem CID 59139186) has the molecular formula C23H21FN5O5S- and a molecular weight of 498.52 g/mol. Its IUPAC name is [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide.

Molecular Properties

Compound Name[4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
PubChem CID59139186
Molecular FormulaC23H21FN5O5S-
Molecular Weight498.52 g/mol
Exact Mass498.13
IUPAC Name[4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
SMILESCCc1c(Cc2ccnc([N-]S(=O)(=O)NC)c2F)c(=O)oc2cc(Oc3ncccn3)c(C)cc12
InChIInChI=1S/C23H21FN5O5S/c1-4-15-16-10-13(2)18(34-23-27-7-5-8-28-23)12-19(16)33-22(30)17(15)11-14-6-9-26-21(20(14)24)29-35(31,32)25-3/h5-10,12,25H,4,11H2,1-3H3/q-1
InChIKeyMVBSXMHAVKVAJE-UHFFFAOYSA-N
XLogP3.84
TPSA138.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.84
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 [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
The IUPAC name of [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide (CID 59139186) is [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide.
What is the SMILES notation for [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
The canonical SMILES for [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide is CCc1c(Cc2ccnc([N-]S(=O)(=O)NC)c2F)c(=O)oc2cc(Oc3ncccn3)c(C)cc12.
What is the InChIKey of [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
The InChIKey is MVBSXMHAVKVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN5O5S/c1-4-15-16-10-13(2)18(34-23-27-7-5-8-28-23)12-19(16)33-22(30)17(15)11-14-6-9-26-21(20(14)24)29-35(31,32)25-3/h5-10,12,25H,4,11H2,1-3H3/q-1.
What are the key properties of [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide?
[4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide has a molecular weight of 498.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethyl-6-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide is sourced from PubChem (CID 59139186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).