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

C25H22FN5O — CID 135946793

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

2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946793) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946793
• Molecular Formula: C25H22FN5O
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.18
• IUPAC Name: 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Nc1ccc(-c2nc3c(c(=O)[nH]2)CN(Cc2cccc(-c4ccc(F)cc4)n2)CC3)cc1
• InChI: InChI=1S/C25H22FN5O/c26-18-8-4-16(5-9-18)22-3-1-2-20(28-22)14-31-13-12-23-21(15-31)25(32)30-24(29-23)17-6-10-19(27)11-7-17/h1-11H,12-15,27H2,(H,29,30,32)
• InChIKey: QKBKNZTUFPLPTP-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 87.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946793) is 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-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-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1ccc(-c2nc3c(c(=O)[nH]2)CN(Cc2cccc(-c4ccc(F)cc4)n2)CC3)cc1.

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

The InChIKey is QKBKNZTUFPLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c26-18-8-4-16(5-9-18)22-3-1-2-20(28-22)14-31-13-12-23-21(15-31)25(32)30-24(29-23)17-6-10-19(27)11-7-17/h1-11H,12-15,27H2,(H,29,30,32).

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

2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 427.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).