2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine

C20H22F3N3O3 — CID 58703172

IUPAC2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine
SMILESCCc1nc2c(CCOC)cn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C20H22F3N3O3/c1-5-15-18(14-7-6-13(10-16(14)28-4)29-20(21,22)23)25-19-17(24-15)12(8-9-27-3)11-26(19)2/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyIQMQEJPMPJOZRA-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.29
Rot. Bonds7

About 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine

2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine (PubChem CID 58703172) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine
PubChem CID58703172
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine
SMILESCCc1nc2c(CCOC)cn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C20H22F3N3O3/c1-5-15-18(14-7-6-13(10-16(14)28-4)29-20(21,22)23)25-19-17(24-15)12(8-9-27-3)11-26(19)2/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyIQMQEJPMPJOZRA-UHFFFAOYSA-N
XLogP4.29
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine (CID 58703172) is 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine is CCc1nc2c(CCOC)cn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC.
What is the InChIKey of 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine?
The InChIKey is IQMQEJPMPJOZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-5-15-18(14-7-6-13(10-16(14)28-4)29-20(21,22)23)25-19-17(24-15)12(8-9-27-3)11-26(19)2/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine?
2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine has a molecular weight of 409.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(2-methoxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 58703172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).