2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine

C38H36F2N12 — CID 123203190

IUPAC2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(CCc2ncc(C)n3nc(C(F)Cc4nc(-c5ccccc5)cn4C)nc23)n2nc(CC(F)c3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C38H36F2N12/c1-23-19-42-30(38-46-35(48-51(23)38)28(39)18-34-43-31(21-49(34)3)25-11-7-5-8-12-25)16-15-27-20-41-24(2)36-45-33(47-52(27)36)17-29(40)37-44-32(22-50(37)4)26-13-9-6-10-14-26/h5-14,19-22,28-29H,15-18H2,1-4H3
InChIKeyUYPCRDFYUQHFNZ-UHFFFAOYSA-N
MW698.79 g/mol
LogP6.27
Rot. Bonds11

About 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 123203190) has the molecular formula C38H36F2N12 and a molecular weight of 698.79 g/mol. Its IUPAC name is 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID123203190
Molecular FormulaC38H36F2N12
Molecular Weight698.79 g/mol
Exact Mass698.32
IUPAC Name2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(CCc2ncc(C)n3nc(C(F)Cc4nc(-c5ccccc5)cn4C)nc23)n2nc(CC(F)c3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C38H36F2N12/c1-23-19-42-30(38-46-35(48-51(23)38)28(39)18-34-43-31(21-49(34)3)25-11-7-5-8-12-25)16-15-27-20-41-24(2)36-45-33(47-52(27)36)17-29(40)37-44-32(22-50(37)4)26-13-9-6-10-14-26/h5-14,19-22,28-29H,15-18H2,1-4H3
InChIKeyUYPCRDFYUQHFNZ-UHFFFAOYSA-N
XLogP6.27
TPSA121.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500698.79
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 123203190) is 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(CCc2ncc(C)n3nc(C(F)Cc4nc(-c5ccccc5)cn4C)nc23)n2nc(CC(F)c3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UYPCRDFYUQHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F2N12/c1-23-19-42-30(38-46-35(48-51(23)38)28(39)18-34-43-31(21-49(34)3)25-11-7-5-8-12-25)16-15-27-20-41-24(2)36-45-33(47-52(27)36)17-29(40)37-44-32(22-50(37)4)26-13-9-6-10-14-26/h5-14,19-22,28-29H,15-18H2,1-4H3.
What are the key properties of 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 698.79 g/mol, XLogP of 6.27, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 123203190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).