3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one

C22H20FN5O5S — CID 24754286

IUPAC3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one
SMILESCNS(=O)(=O)Nc1nccc(Cc2c(C)c3cc(C)c(Oc4ncccn4)cc3oc2=O)c1F
InChIInChI=1S/C22H20FN5O5S/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,(H,25,28)
InChIKeyUHCRAQULJYNSMZ-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.99
Rot. Bonds7

About 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one

3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one (PubChem CID 24754286) has the molecular formula C22H20FN5O5S and a molecular weight of 485.50 g/mol. Its IUPAC name is 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one.

Molecular Properties

Compound Name3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one
PubChem CID24754286
Molecular FormulaC22H20FN5O5S
Molecular Weight485.50 g/mol
Exact Mass485.12
IUPAC Name3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one
SMILESCNS(=O)(=O)Nc1nccc(Cc2c(C)c3cc(C)c(Oc4ncccn4)cc3oc2=O)c1F
InChIInChI=1S/C22H20FN5O5S/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,(H,25,28)
InChIKeyUHCRAQULJYNSMZ-UHFFFAOYSA-N
XLogP2.99
TPSA136.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one?
The IUPAC name of 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one (CID 24754286) is 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one.
What is the SMILES notation for 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one?
The canonical SMILES for 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one is CNS(=O)(=O)Nc1nccc(Cc2c(C)c3cc(C)c(Oc4ncccn4)cc3oc2=O)c1F.
What is the InChIKey of 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one?
The InChIKey is UHCRAQULJYNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O5S/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,(H,25,28).
What are the key properties of 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one?
3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one has a molecular weight of 485.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one is sourced from PubChem (CID 24754286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).