(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate

C24H20FN3O5S — CID 16611369

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc2nc(COC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(C)c3)cc(=O)n2c1
InChIInChI=1S/C24H20FN3O5S/c1-15-7-10-22-26-17(12-23(29)28(22)13-15)14-33-24(30)19-5-3-4-6-21(19)27-34(31,32)18-8-9-20(25)16(2)11-18/h3-13,27H,14H2,1-2H3
InChIKeyISJCIMWLMSBSFM-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.61
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate (PubChem CID 16611369) has the molecular formula C24H20FN3O5S and a molecular weight of 481.51 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
PubChem CID16611369
Molecular FormulaC24H20FN3O5S
Molecular Weight481.51 g/mol
Exact Mass481.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc2nc(COC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(C)c3)cc(=O)n2c1
InChIInChI=1S/C24H20FN3O5S/c1-15-7-10-22-26-17(12-23(29)28(22)13-15)14-33-24(30)19-5-3-4-6-21(19)27-34(31,32)18-8-9-20(25)16(2)11-18/h3-13,27H,14H2,1-2H3
InChIKeyISJCIMWLMSBSFM-UHFFFAOYSA-N
XLogP3.61
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

Ethyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 2392189
methyl 2-[(3-morpholin-4-ylsulfonylbenzoyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135775971
2-(3-Morpholin-4-ylsulfonylphenyl)-3,1-benzoxazin-4-one
CID 3236240
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5036401
[3-(Dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 4853935
[3-(Cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 4856602
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 16276752
(4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
CID 135464878
(4-oxo-3H-quinazolin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 135527291
2-[(6-Fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)sulfonylamino]benzoic acid
CID 170753374
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2103395
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2400642

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate (CID 16611369) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate is Cc1ccc2nc(COC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(C)c3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
The InChIKey is ISJCIMWLMSBSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S/c1-15-7-10-22-26-17(12-23(29)28(22)13-15)14-33-24(30)19-5-3-4-6-21(19)27-34(31,32)18-8-9-20(25)16(2)11-18/h3-13,27H,14H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate has a molecular weight of 481.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16611369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).