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

C19H15F2N3O3S — CID 135432642

IUPAC2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H15F2N3O3S/c20-13-4-6-15(7-5-13)28(26,27)24-9-8-17-16(11-24)19(25)23-18(22-17)12-2-1-3-14(21)10-12/h1-7,10H,8-9,11H2,(H,22,23,25)
InChIKeySOOYADCGWJQEQJ-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.46
Rot. Bonds3

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

2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135432642) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135432642
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC Name2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H15F2N3O3S/c20-13-4-6-15(7-5-13)28(26,27)24-9-8-17-16(11-24)19(25)23-18(22-17)12-2-1-3-14(21)10-12/h1-7,10H,8-9,11H2,(H,22,23,25)
InChIKeySOOYADCGWJQEQJ-UHFFFAOYSA-N
XLogP2.46
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 2962121
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
7-(4-Ethylbenzenesulfonyl)-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112237
3-(Benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 66883099
6-Benzyl-2-(3,5-difluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137046954

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135432642) is 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SOOYADCGWJQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c20-13-4-6-15(7-5-13)28(26,27)24-9-8-17-16(11-24)19(25)23-18(22-17)12-2-1-3-14(21)10-12/h1-7,10H,8-9,11H2,(H,22,23,25).
What are the key properties of 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 403.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135432642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).