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

C21H20N4O2 — CID 135861702

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

2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861702) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861702
• Molecular Formula: C21H20N4O2
• Molecular Weight: 360.42 g/mol
• Exact Mass: 360.16
• IUPAC Name: 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccc2c(CN3CCc4nc(-c5ccco5)[nH]c(=O)c4C3)c[nH]c2c1
• InChI: InChI=1S/C21H20N4O2/c1-13-4-5-15-14(10-22-18(15)9-13)11-25-7-6-17-16(12-25)21(26)24-20(23-17)19-3-2-8-27-19/h2-5,8-10,22H,6-7,11-12H2,1H3,(H,23,24,26)
• InChIKey: YTZDQXNNFILYDF-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 77.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.42
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861702) is 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc2c(CN3CCc4nc(-c5ccco5)[nH]c(=O)c4C3)c[nH]c2c1.

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

The InChIKey is YTZDQXNNFILYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-4-5-15-14(10-22-18(15)9-13)11-25-7-6-17-16(12-25)21(26)24-20(23-17)19-3-2-8-27-19/h2-5,8-10,22H,6-7,11-12H2,1H3,(H,23,24,26).

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

2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-6-[(6-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).