2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H25N5O2 — CID 135946833

About 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946833) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946833
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc(-c2cccc(CN3CCc4nc(-c5ccc(N)cc5)[nH]c(=O)c4C3)n2)cc1
• InChI: InChI=1S/C26H25N5O2/c1-33-21-11-7-17(8-12-21)23-4-2-3-20(28-23)15-31-14-13-24-22(16-31)26(32)30-25(29-24)18-5-9-19(27)10-6-18/h2-12H,13-16,27H2,1H3,(H,29,30,32)
• InChIKey: GHZWHXSQODEZJX-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 97.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946833) is 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cccc(CN3CCc4nc(-c5ccc(N)cc5)[nH]c(=O)c4C3)n2)cc1.

What is the InChIKey of 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is GHZWHXSQODEZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-33-21-11-7-17(8-12-21)23-4-2-3-20(28-23)15-31-14-13-24-22(16-31)26(32)30-25(29-24)18-5-9-19(27)10-6-18/h2-12H,13-16,27H2,1H3,(H,29,30,32).

What are the key properties of 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 439.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).