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

C22H17Cl2N3O2 — CID 24910914

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

6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910914) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910914
• Molecular Formula: C22H17Cl2N3O2
• Molecular Weight: 426.30 g/mol
• Exact Mass: 425.07
• IUPAC Name: 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc(Cl)c(-c2ccc(CN3CCc4nc(-c5ccco5)ncc4C3)o2)c1
• InChI: InChI=1S/C22H17Cl2N3O2/c23-15-3-5-18(24)17(10-15)20-6-4-16(29-20)13-27-8-7-19-14(12-27)11-25-22(26-19)21-2-1-9-28-21/h1-6,9-11H,7-8,12-13H2
• InChIKey: OSESCDGYQHFYDS-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 55.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.30
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910914) is 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(Cl)c(-c2ccc(CN3CCc4nc(-c5ccco5)ncc4C3)o2)c1.

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

The InChIKey is OSESCDGYQHFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c23-15-3-5-18(24)17(10-15)20-6-4-16(29-20)13-27-8-7-19-14(12-27)11-25-22(26-19)21-2-1-9-28-21/h1-6,9-11H,7-8,12-13H2.

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

6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 426.30 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).