[5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol

C34H26ClF3N12O4 — CID 162609665

About [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol

[5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (PubChem CID 162609665) has the molecular formula C34H26ClF3N12O4 and a molecular weight of 759.11 g/mol. Its IUPAC name is [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.

Molecular Properties

• Compound Name: [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
• PubChem CID: 162609665
• Molecular Formula: C34H26ClF3N12O4
• Molecular Weight: 759.11 g/mol
• Exact Mass: 758.18
• IUPAC Name: [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
• SMILES: Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(COc4ccc(-c5nc(N)n6nc(CO)nc6c5-c5cc(C)nc(C(F)(F)F)c5)o4)nc23)cc(Cl)n1
• InChI: InChI=1S/C34H26ClF3N12O4/c1-14-8-17(10-21(41-14)34(36,37)38)26-29(46-32(39)49-30(26)43-23(12-51)47-49)20-6-7-25(54-20)52-13-24-44-31-27(18-9-15(2)42-22(35)11-18)28(19-5-4-16(3)53-19)45-33(40)50(31)48-24/h4-11,51H,12-13H2,1-3H3,(H2,39,46)(H2,40,45)
• InChIKey: BQRXQALCIKXRJK-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 219.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.11
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?

The IUPAC name of [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (CID 162609665) is [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.

What is the SMILES notation for [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?

The canonical SMILES for [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(COc4ccc(-c5nc(N)n6nc(CO)nc6c5-c5cc(C)nc(C(F)(F)F)c5)o4)nc23)cc(Cl)n1.

What is the InChIKey of [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?

The InChIKey is BQRXQALCIKXRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26ClF3N12O4/c1-14-8-17(10-21(41-14)34(36,37)38)26-29(46-32(39)49-30(26)43-23(12-51)47-49)20-6-7-25(54-20)52-13-24-44-31-27(18-9-15(2)42-22(35)11-18)28(19-5-4-16(3)53-19)45-33(40)50(31)48-24/h4-11,51H,12-13H2,1-3H3,(H2,39,46)(H2,40,45).

What are the key properties of [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?

[5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol has a molecular weight of 759.11 g/mol, XLogP of 6.04, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-7-[5-[[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy]furan-2-yl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 162609665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).