2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H18FN3O3S — CID 135496029

IUPAC2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(F)cc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-13-2-8-16(9-3-13)28(26,27)24-11-10-18-17(12-24)20(25)23-19(22-18)14-4-6-15(21)7-5-14/h2-9H,10-12H2,1H3,(H,22,23,25)
InChIKeyGYDOKMHQZVGQSJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135496029) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135496029
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(F)cc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-13-2-8-16(9-3-13)28(26,27)24-11-10-18-17(12-24)20(25)23-19(22-18)14-4-6-15(21)7-5-14/h2-9H,10-12H2,1H3,(H,22,23,25)
InChIKeyGYDOKMHQZVGQSJ-UHFFFAOYSA-N
XLogP2.63
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(4-sulfamoylbenzyl)butanamide
CID 49729324
7-[(3,5-difluorophenyl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184075
2-(4-Fluorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251467
4-{[2-(4-Fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-7-YL]sulfonyl}benzonitrile
CID 136338997
7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136507759
7-[(3,4-dimethylphenyl)sulfonyl]-2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136666816
2-(4-Fluorophenyl)-7-[(3-fluorophenyl)methylsulfonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136666817
4-(4-Oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide
CID 155549634
6-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135475924
4-[[(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]methyl]benzenesulfonamide
CID 8933333
7-(4-Ethylbenzenesulfonyl)-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112237
7-(2,3-Dihydro-1H-indene-5-sulfonyl)-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112238

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135496029) is 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(F)cc4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GYDOKMHQZVGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-13-2-8-16(9-3-13)28(26,27)24-11-10-18-17(12-24)20(25)23-19(22-18)14-4-6-15(21)7-5-14/h2-9H,10-12H2,1H3,(H,22,23,25).
What are the key properties of 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 399.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135496029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).