5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine

C20H19N3O2 — CID 90712090

IUPAC5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(N2CCc3ncc(-c4ccccc4)nc32)cc1OC
InChIInChI=1S/C20H19N3O2/c1-24-18-9-8-15(12-19(18)25-2)23-11-10-16-20(23)22-17(13-21-16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyOFUBZWDYYTXAPG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.86
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine

5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine (PubChem CID 90712090) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine
PubChem CID90712090
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(N2CCc3ncc(-c4ccccc4)nc32)cc1OC
InChIInChI=1S/C20H19N3O2/c1-24-18-9-8-15(12-19(18)25-2)23-11-10-16-20(23)22-17(13-21-16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyOFUBZWDYYTXAPG-UHFFFAOYSA-N
XLogP3.86
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine (CID 90712090) is 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine is COc1ccc(N2CCc3ncc(-c4ccccc4)nc32)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine?
The InChIKey is OFUBZWDYYTXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-18-9-8-15(12-19(18)25-2)23-11-10-16-20(23)22-17(13-21-16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine?
5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine has a molecular weight of 333.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90712090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).