7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H22N4O2 — CID 135866667

About 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866667) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 135866667
• Molecular Formula: C23H22N4O2
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.17
• IUPAC Name: 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: COc1ccc2[nH]cc(CN3CCc4c(nc(-c5ccccc5)[nH]c4=O)C3)c2c1
• InChI: InChI=1S/C23H22N4O2/c1-29-17-7-8-20-19(11-17)16(12-24-20)13-27-10-9-18-21(14-27)25-22(26-23(18)28)15-5-3-2-4-6-15/h2-8,11-12,24H,9-10,13-14H2,1H3,(H,25,26,28)
• InChIKey: FEXBKQFXRTYQNX-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 74.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866667) is 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc2[nH]cc(CN3CCc4c(nc(-c5ccccc5)[nH]c4=O)C3)c2c1.

What is the InChIKey of 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is FEXBKQFXRTYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-17-7-8-20-19(11-17)16(12-24-20)13-27-10-9-18-21(14-27)25-22(26-23(18)28)15-5-3-2-4-6-15/h2-8,11-12,24H,9-10,13-14H2,1H3,(H,25,26,28).

What are the key properties of 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 386.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).