ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione

C31H31FN4O5 — CID 144833260

About ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione

ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 144833260) has the molecular formula C31H31FN4O5 and a molecular weight of 558.61 g/mol. Its IUPAC name is ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

• Compound Name: ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione
• PubChem CID: 144833260
• Molecular Formula: C31H31FN4O5
• Molecular Weight: 558.61 g/mol
• Exact Mass: 558.23
• IUPAC Name: ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione
• SMILES: CC.COc1ccc(Cn2c(=O)c3c(Oc4ccnc(C)c4)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1
• InChI: InChI=1S/C29H25FN4O5.C2H6/c1-17-5-10-23(22(30)13-17)34-27-26(24(15-25(35)32(27)3)39-21-11-12-31-18(2)14-21)28(36)33(29(34)37)16-19-6-8-20(38-4)9-7-19;1-2/h5-15H,16H2,1-4H3;1-2H3
• InChIKey: VKHNQPMPDJZELH-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 97.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.61
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione?

The IUPAC name of ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 144833260) is ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione.

What is the SMILES notation for ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione?

The canonical SMILES for ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione is CC.COc1ccc(Cn2c(=O)c3c(Oc4ccnc(C)c4)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1.

What is the InChIKey of ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione?

The InChIKey is VKHNQPMPDJZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O5.C2H6/c1-17-5-10-23(22(30)13-17)34-27-26(24(15-25(35)32(27)3)39-21-11-12-31-18(2)14-21)28(36)33(29(34)37)16-19-6-8-20(38-4)9-7-19;1-2/h5-15H,16H2,1-4H3;1-2H3.

What are the key properties of ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione?

ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 558.61 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 144833260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).