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

C24H25N5O2 — CID 136681091

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

7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681091) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136681091
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: CCn1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2cc(OC)ccc21
• InChI: InChI=1S/C24H25N5O2/c1-3-29-14-16(19-12-17(31-2)7-8-22(19)29)13-28-11-9-18-21(15-28)26-23(27-24(18)30)20-6-4-5-10-25-20/h4-8,10,12,14H,3,9,11,13,15H2,1-2H3,(H,26,27,30)
• InChIKey: QHLNCRNQJYXYKS-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681091) is 7-[(1-ethyl-5-methoxyindol-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-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2cc(OC)ccc21.

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

The InChIKey is QHLNCRNQJYXYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-29-14-16(19-12-17(31-2)7-8-22(19)29)13-28-11-9-18-21(15-28)26-23(27-24(18)30)20-6-4-5-10-25-20/h4-8,10,12,14H,3,9,11,13,15H2,1-2H3,(H,26,27,30).

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

7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 415.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).