methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate

C20H20F3N3O4 — CID 58703149

IUPACmethyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate
SMILESCOC(=O)C(C)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)nc12
InChIInChI=1S/C20H20F3N3O4/c1-10(19(27)29-5)14-9-26(3)18-17(14)24-11(2)16(25-18)13-7-6-12(8-15(13)28-4)30-20(21,22)23/h6-10H,1-5H3
InChIKeyFNKYEEIFHZMGIB-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.13
Rot. Bonds5

About methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate

methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate (PubChem CID 58703149) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate
PubChem CID58703149
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Namemethyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate
SMILESCOC(=O)C(C)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)nc12
InChIInChI=1S/C20H20F3N3O4/c1-10(19(27)29-5)14-9-26(3)18-17(14)24-11(2)16(25-18)13-7-6-12(8-15(13)28-4)30-20(21,22)23/h6-10H,1-5H3
InChIKeyFNKYEEIFHZMGIB-UHFFFAOYSA-N
XLogP4.13
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate?
The IUPAC name of methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate (CID 58703149) is methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate.
What is the SMILES notation for methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate?
The canonical SMILES for methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate is COC(=O)C(C)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)nc12.
What is the InChIKey of methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate?
The InChIKey is FNKYEEIFHZMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c1-10(19(27)29-5)14-9-26(3)18-17(14)24-11(2)16(25-18)13-7-6-12(8-15(13)28-4)30-20(21,22)23/h6-10H,1-5H3.
What are the key properties of methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate?
methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate has a molecular weight of 423.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propanoate is sourced from PubChem (CID 58703149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).