7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium

C36H33F2N12O2+ — CID 123333663

About 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium

7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium (PubChem CID 123333663) has the molecular formula C36H33F2N12O2+ and a molecular weight of 703.74 g/mol. Its IUPAC name is 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium.

Molecular Properties

• Compound Name: 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium
• PubChem CID: 123333663
• Molecular Formula: C36H33F2N12O2+
• Molecular Weight: 703.74 g/mol
• Exact Mass: 703.28
• IUPAC Name: 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium
• SMILES: COc1cc(-[n+]2cc(C)n3nc(C4CC4c4nc5c(OC)cccn5c4F)nc3c2C)cn2c(F)c(C3CC3c3nc4c(C)ncc(C)n4n3)nc12
• InChI: InChI=1S/C36H33F2N12O2/c1-16-13-39-18(3)33-42-31(44-49(16)33)23-12-22(23)28-30(38)48-15-20(10-26(52-6)36(48)41-28)47-14-17(2)50-34(19(47)4)43-32(45-50)24-11-21(24)27-29(37)46-9-7-8-25(51-5)35(46)40-27/h7-10,13-15,21-24H,11-12H2,1-6H3/q+1
• InChIKey: XCUJPNYNFSMQOK-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 130.21 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.74
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?

The IUPAC name of 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium (CID 123333663) is 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium.

What is the SMILES notation for 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?

The canonical SMILES for 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium is COc1cc(-[n+]2cc(C)n3nc(C4CC4c4nc5c(OC)cccn5c4F)nc3c2C)cn2c(F)c(C3CC3c3nc4c(C)ncc(C)n4n3)nc12.

What is the InChIKey of 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?

The InChIKey is XCUJPNYNFSMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N12O2/c1-16-13-39-18(3)33-42-31(44-49(16)33)23-12-22(23)28-30(38)48-15-20(10-26(52-6)36(48)41-28)47-14-17(2)50-34(19(47)4)43-32(45-50)24-11-21(24)27-29(37)46-9-7-8-25(51-5)35(46)40-27/h7-10,13-15,21-24H,11-12H2,1-6H3/q+1.

What are the key properties of 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium?

7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium has a molecular weight of 703.74 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-fluoro-8-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium is sourced from PubChem (CID 123333663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).