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

C22H20N4O2 — CID 24909276

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

1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone (PubChem CID 24909276) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
• PubChem CID: 24909276
• Molecular Formula: C22H20N4O2
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.16
• IUPAC Name: 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
• SMILES: CC(=O)n1cc(CN2CCc3nc(-c4ccco4)ncc3C2)c2ccccc21
• InChI: InChI=1S/C22H20N4O2/c1-15(27)26-14-17(18-5-2-3-6-20(18)26)13-25-9-8-19-16(12-25)11-23-22(24-19)21-7-4-10-28-21/h2-7,10-11,14H,8-9,12-13H2,1H3
• InChIKey: QWZUCFADEDHGGM-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 64.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone (CID 24909276) is 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone.

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

The canonical SMILES for 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone is CC(=O)n1cc(CN2CCc3nc(-c4ccco4)ncc3C2)c2ccccc21.

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

The InChIKey is QWZUCFADEDHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)26-14-17(18-5-2-3-6-20(18)26)13-25-9-8-19-16(12-25)11-23-22(24-19)21-7-4-10-28-21/h2-7,10-11,14H,8-9,12-13H2,1H3.

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

1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone is sourced from PubChem (CID 24909276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).