2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H18FN3O3S — CID 135460821

IUPAC2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C23H18FN3O3S/c24-17-8-3-7-16(13-17)22-25-20-11-12-27(14-19(20)23(28)26-22)31(29,30)21-10-4-6-15-5-1-2-9-18(15)21/h1-10,13H,11-12,14H2,(H,25,26,28)
InChIKeyLITYTXDZTCUNGT-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135460821) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135460821
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Name2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C23H18FN3O3S/c24-17-8-3-7-16(13-17)22-25-20-11-12-27(14-19(20)23(28)26-22)31(29,30)21-10-4-6-15-5-1-2-9-18(15)21/h1-10,13H,11-12,14H2,(H,25,26,28)
InChIKeyLITYTXDZTCUNGT-UHFFFAOYSA-N
XLogP3.48
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251467
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-Phenyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136338983
2-(3-Fluorophenyl)-6-(4-fluorophenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135432642
2-(3-Methylphenyl)-6-[3-(trifluoromethyl)phenyl]sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135447434
2-(4-Fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135496029
2-(4-Fluorophenyl)-6-(2,4,6-trimethylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135496031
2-[(2-Methylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136231302
5-(Naphthalene-1-sulfonyl)-1,5,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632472
2-[(4-Methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135469409
2-Benzyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135500442

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135460821) is 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccc(F)c2)nc2c1CN(S(=O)(=O)c1cccc3ccccc13)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LITYTXDZTCUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c24-17-8-3-7-16(13-17)22-25-20-11-12-27(14-19(20)23(28)26-22)31(29,30)21-10-4-6-15-5-1-2-9-18(15)21/h1-10,13H,11-12,14H2,(H,25,26,28).
What are the key properties of 2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3-fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 435.48 g/mol, XLogP of 3.48, 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-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135460821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).