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

C25H23N3O3S — CID 135469409

IUPAC2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(Cc2nc3c(c(=O)[nH]2)CN(S(=O)(=O)c2cccc4ccccc24)CC3)cc1
InChIInChI=1S/C25H23N3O3S/c1-17-9-11-18(12-10-17)15-24-26-22-13-14-28(16-21(22)25(29)27-24)32(30,31)23-8-4-6-19-5-2-3-7-20(19)23/h2-12H,13-16H2,1H3,(H,26,27,29)
InChIKeyNMAALGIAINLNHW-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.57
Rot. Bonds4

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

2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135469409) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135469409
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(Cc2nc3c(c(=O)[nH]2)CN(S(=O)(=O)c2cccc4ccccc24)CC3)cc1
InChIInChI=1S/C25H23N3O3S/c1-17-9-11-18(12-10-17)15-24-26-22-13-14-28(16-21(22)25(29)27-24)32(30,31)23-8-4-6-19-5-2-3-7-20(19)23/h2-12H,13-16H2,1H3,(H,26,27,29)
InChIKeyNMAALGIAINLNHW-UHFFFAOYSA-N
XLogP3.57
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-Fluorophenyl)sulfonyl-2-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135416735
2-[(4-Methylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135427444
2-(3-Fluorophenyl)-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135460821
6-(4-Fluorophenyl)sulfonyl-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619571
2-[(2-Methylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136231302
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide
CID 58638732
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-Benzyl-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135447111
2-[(4-Methylphenyl)methyl]-6-(2,4,6-trimethylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135453707
2-Methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135457233
2-[(4-Methylphenyl)methyl]-6-(2-phenylethenylsulfonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135463896
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-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135469409) is 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(Cc2nc3c(c(=O)[nH]2)CN(S(=O)(=O)c2cccc4ccccc24)CC3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NMAALGIAINLNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-17-9-11-18(12-10-17)15-24-26-22-13-14-28(16-21(22)25(29)27-24)32(30,31)23-8-4-6-19-5-2-3-7-20(19)23/h2-12H,13-16H2,1H3,(H,26,27,29).
What are the key properties of 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 445.54 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-6-naphthalen-1-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135469409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).