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

C17H15N3O4 — CID 24909111

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

5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid (PubChem CID 24909111) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
• PubChem CID: 24909111
• Molecular Formula: C17H15N3O4
• Molecular Weight: 325.32 g/mol
• Exact Mass: 325.11
• IUPAC Name: 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
• SMILES: O=C(O)c1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)o1
• InChI: InChI=1S/C17H15N3O4/c21-17(22)15-4-3-12(24-15)10-20-6-5-13-11(9-20)8-18-16(19-13)14-2-1-7-23-14/h1-4,7-8H,5-6,9-10H2,(H,21,22)
• InChIKey: FBHXCENODMJABY-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 92.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.32
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid (CID 24909111) is 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid.

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

The canonical SMILES for 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCc3nc(-c4ccco4)ncc3C2)o1.

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

The InChIKey is FBHXCENODMJABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-17(22)15-4-3-12(24-15)10-20-6-5-13-11(9-20)8-18-16(19-13)14-2-1-7-23-14/h1-4,7-8H,5-6,9-10H2,(H,21,22).

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

5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 24909111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).