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

C22H21N5O2 — CID 136681074

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

7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681074) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136681074
• Molecular Formula: C22H21N5O2
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.17
• IUPAC Name: 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: COc1ccc2c(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c[nH]c2c1
• InChI: InChI=1S/C22H21N5O2/c1-29-15-5-6-16-14(11-24-19(16)10-15)12-27-9-7-17-20(13-27)25-21(26-22(17)28)18-4-2-3-8-23-18/h2-6,8,10-11,24H,7,9,12-13H2,1H3,(H,25,26,28)
• InChIKey: HJPUJZMAPBZAQB-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 86.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681074) is 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc2c(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c[nH]c2c1.

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

The InChIKey is HJPUJZMAPBZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-29-15-5-6-16-14(11-24-19(16)10-15)12-27-9-7-17-20(13-27)25-21(26-22(17)28)18-4-2-3-8-23-18/h2-6,8,10-11,24H,7,9,12-13H2,1H3,(H,25,26,28).

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

7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).