2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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

C38H34F4N12 — CID 123659764

IUPAC2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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)(F)Cc4nc(-c5ccccc5)cn4C)nc23)n2nc(CC(F)(F)c3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C38H34F4N12/c1-23-19-44-28(34-48-35(50-53(23)34)37(39,40)18-32-45-29(21-51(32)3)25-11-7-5-8-12-25)16-15-27-20-43-24(2)33-47-31(49-54(27)33)17-38(41,42)36-46-30(22-52(36)4)26-13-9-6-10-14-26/h5-14,19-22H,15-18H2,1-4H3
InChIKeySIBMPVRKHAJITD-UHFFFAOYSA-N
MW734.77 g/mol
LogP6.43
Rot. Bonds11

About 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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 123659764) has the molecular formula C38H34F4N12 and a molecular weight of 734.77 g/mol. Its IUPAC name is 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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 CID123659764
Molecular FormulaC38H34F4N12
Molecular Weight734.77 g/mol
Exact Mass734.30
IUPAC Name2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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)(F)Cc4nc(-c5ccccc5)cn4C)nc23)n2nc(CC(F)(F)c3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C38H34F4N12/c1-23-19-44-28(34-48-35(50-53(23)34)37(39,40)18-32-45-29(21-51(32)3)25-11-7-5-8-12-25)16-15-27-20-43-24(2)33-47-31(49-54(27)33)17-38(41,42)36-46-30(22-52(36)4)26-13-9-6-10-14-26/h5-14,19-22H,15-18H2,1-4H3
InChIKeySIBMPVRKHAJITD-UHFFFAOYSA-N
XLogP6.43
TPSA121.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.77
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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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5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
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N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
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3-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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 123659764) is 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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)(F)Cc4nc(-c5ccccc5)cn4C)nc23)n2nc(CC(F)(F)c3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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 SIBMPVRKHAJITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F4N12/c1-23-19-44-28(34-48-35(50-53(23)34)37(39,40)18-32-45-29(21-51(32)3)25-11-7-5-8-12-25)16-15-27-20-43-24(2)33-47-31(49-54(27)33)17-38(41,42)36-46-30(22-52(36)4)26-13-9-6-10-14-26/h5-14,19-22H,15-18H2,1-4H3.
What are the key properties of 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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 734.77 g/mol, XLogP of 6.43, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-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 123659764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).