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

C26H28N4O2 — CID 135862360

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

6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862360) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862360
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCCc1nc2c(c(=O)[nH]1)CN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)CC2
• InChI: InChI=1S/C26H28N4O2/c1-2-7-24-28-21-12-13-30(16-20(21)26(31)29-24)15-19-14-27-22-10-6-11-23(25(19)22)32-17-18-8-4-3-5-9-18/h3-6,8-11,14,27H,2,7,12-13,15-17H2,1H3,(H,28,29,31)
• InChIKey: FNPSNTNQBMPGCH-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 74.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862360) is 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)CC2.

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

The InChIKey is FNPSNTNQBMPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-7-24-28-21-12-13-30(16-20(21)26(31)29-24)15-19-14-27-22-10-6-11-23(25(19)22)32-17-18-8-4-3-5-9-18/h3-6,8-11,14,27H,2,7,12-13,15-17H2,1H3,(H,28,29,31).

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

6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 428.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).