6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H27F3N4O — CID 24915202

About 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915202) has the molecular formula C25H27F3N4O and a molecular weight of 456.51 g/mol. Its IUPAC name is 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915202
• Molecular Formula: C25H27F3N4O
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.21
• IUPAC Name: 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC1CCN(c2ccc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)o2)CC1
• InChI: InChI=1S/C25H27F3N4O/c1-17-8-12-32(13-9-17)23-7-6-21(33-23)16-31-11-10-22-19(15-31)14-29-24(30-22)18-2-4-20(5-3-18)25(26,27)28/h2-7,14,17H,8-13,15-16H2,1H3
• InChIKey: QVKIKEIUCQVVNL-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 45.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915202) is 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1CCN(c2ccc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)o2)CC1.

What is the InChIKey of 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is QVKIKEIUCQVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O/c1-17-8-12-32(13-9-17)23-7-6-21(33-23)16-31-11-10-22-19(15-31)14-29-24(30-22)18-2-4-20(5-3-18)25(26,27)28/h2-7,14,17H,8-13,15-16H2,1H3.

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

6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 456.51 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).