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

C23H19ClN4O — CID 24910594

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

6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910594) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24910594
• Molecular Formula: C23H19ClN4O
• Molecular Weight: 402.89 g/mol
• Exact Mass: 402.12
• IUPAC Name: 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Clc1ccc(-c2ccc(CN3CCc4nc(-c5ccncc5)ncc4C3)o2)cc1
• InChI: InChI=1S/C23H19ClN4O/c24-19-3-1-16(2-4-19)22-6-5-20(29-22)15-28-12-9-21-18(14-28)13-26-23(27-21)17-7-10-25-11-8-17/h1-8,10-11,13H,9,12,14-15H2
• InChIKey: APWLJYAQXCKKBK-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.89
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910594) is 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ccc(CN3CCc4nc(-c5ccncc5)ncc4C3)o2)cc1.

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

The InChIKey is APWLJYAQXCKKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-19-3-1-16(2-4-19)22-6-5-20(29-22)15-28-12-9-21-18(14-28)13-26-23(27-21)17-7-10-25-11-8-17/h1-8,10-11,13H,9,12,14-15H2.

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

6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 402.89 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).