2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol

C19H20F3N3O3 — CID 58703194

IUPAC2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C
InChIInChI=1S/C19H20F3N3O3/c1-10(9-26)14-8-25(3)18-17(14)23-11(2)16(24-18)13-6-5-12(7-15(13)27-4)28-19(20,21)22/h5-8,10,26H,9H2,1-4H3
InChIKeyFSHRMEDSESKGTE-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.95
Rot. Bonds5

About 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol

2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol (PubChem CID 58703194) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
PubChem CID58703194
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C
InChIInChI=1S/C19H20F3N3O3/c1-10(9-26)14-8-25(3)18-17(14)23-11(2)16(24-18)13-6-5-12(7-15(13)27-4)28-19(20,21)22/h5-8,10,26H,9H2,1-4H3
InChIKeyFSHRMEDSESKGTE-UHFFFAOYSA-N
XLogP3.95
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
The IUPAC name of 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol (CID 58703194) is 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol.
What is the SMILES notation for 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
The canonical SMILES for 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol is COc1cc(OC(F)(F)F)ccc1-c1nc2c(nc1C)c(C(C)CO)cn2C.
What is the InChIKey of 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
The InChIKey is FSHRMEDSESKGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-10(9-26)14-8-25(3)18-17(14)23-11(2)16(24-18)13-6-5-12(7-15(13)27-4)28-19(20,21)22/h5-8,10,26H,9H2,1-4H3.
What are the key properties of 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?
2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol has a molecular weight of 395.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol is sourced from PubChem (CID 58703194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).