[8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

C53H39F5N6O6 — CID 135368348

IUPAC[8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccc(C(F)(F)F)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3c(F)cccc3F)cn12
InChIInChI=1S/C27H20F3N3O3.C26H19F2N3O3/c1-17(34)35-26-22(15-20-12-13-24(36-20)27(28,29)30)32-25-21(14-18-8-4-2-5-9-18)31-23(16-33(25)26)19-10-6-3-7-11-19;1-16(32)34-26-22(14-18-9-6-12-33-18)30-25-21(13-17-7-3-2-4-8-17)29-23(15-31(25)26)24-19(27)10-5-11-20(24)28/h2-13,16H,14-15H2,1H3;2-12,15H,13-14H2,1H3
InChIKeySRRCYHAEFPXCBO-UHFFFAOYSA-N
MW950.92 g/mol
LogP11.49
Rot. Bonds12

About [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

[8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368348) has the molecular formula C53H39F5N6O6 and a molecular weight of 950.92 g/mol. Its IUPAC name is [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135368348
Molecular FormulaC53H39F5N6O6
Molecular Weight950.92 g/mol
Exact Mass950.29
IUPAC Name[8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccc(C(F)(F)F)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3c(F)cccc3F)cn12
InChIInChI=1S/C27H20F3N3O3.C26H19F2N3O3/c1-17(34)35-26-22(15-20-12-13-24(36-20)27(28,29)30)32-25-21(14-18-8-4-2-5-9-18)31-23(16-33(25)26)19-10-6-3-7-11-19;1-16(32)34-26-22(14-18-9-6-12-33-18)30-25-21(13-17-7-3-2-4-8-17)29-23(15-31(25)26)24-19(27)10-5-11-20(24)28/h2-13,16H,14-15H2,1H3;2-12,15H,13-14H2,1H3
InChIKeySRRCYHAEFPXCBO-UHFFFAOYSA-N
XLogP11.49
TPSA139.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500950.92
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368348) is [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccc(C(F)(F)F)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3c(F)cccc3F)cn12.
What is the InChIKey of [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is SRRCYHAEFPXCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O3.C26H19F2N3O3/c1-17(34)35-26-22(15-20-12-13-24(36-20)27(28,29)30)32-25-21(14-18-8-4-2-5-9-18)31-23(16-33(25)26)19-10-6-3-7-11-19;1-16(32)34-26-22(14-18-9-6-12-33-18)30-25-21(13-17-7-3-2-4-8-17)29-23(15-31(25)26)24-19(27)10-5-11-20(24)28/h2-13,16H,14-15H2,1H3;2-12,15H,13-14H2,1H3.
What are the key properties of [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
[8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 950.92 g/mol, XLogP of 11.49, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzyl-6-(2,6-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).