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

C18H17N3O2S — CID 24910977

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

1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone (PubChem CID 24910977) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
• PubChem CID: 24910977
• Molecular Formula: C18H17N3O2S
• Molecular Weight: 339.42 g/mol
• Exact Mass: 339.10
• IUPAC Name: 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)s1
• InChI: InChI=1S/C18H17N3O2S/c1-12(22)17-5-4-14(24-17)11-21-7-6-15-13(10-21)9-19-18(20-15)16-3-2-8-23-16/h2-5,8-9H,6-7,10-11H2,1H3
• InChIKey: QMGOPIKTMKDNKL-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.42
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone (CID 24910977) is 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone.

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

The canonical SMILES for 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)s1.

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

The InChIKey is QMGOPIKTMKDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(22)17-5-4-14(24-17)11-21-7-6-15-13(10-21)9-19-18(20-15)16-3-2-8-23-16/h2-5,8-9H,6-7,10-11H2,1H3.

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

1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone has a molecular weight of 339.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24910977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).