1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine

C20H17N3O2 — CID 118488445

IUPAC1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine
SMILESCOc1cc(Oc2nccn3cccc23)ccc1-c1cccnc1C
InChIInChI=1S/C20H17N3O2/c1-14-16(5-3-9-21-14)17-8-7-15(13-19(17)24-2)25-20-18-6-4-11-23(18)12-10-22-20/h3-13H,1-2H3
InChIKeyMJIMNJYSCHGURB-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.51
Rot. Bonds4

About 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine

1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine (PubChem CID 118488445) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine
PubChem CID118488445
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine
SMILESCOc1cc(Oc2nccn3cccc23)ccc1-c1cccnc1C
InChIInChI=1S/C20H17N3O2/c1-14-16(5-3-9-21-14)17-8-7-15(13-19(17)24-2)25-20-18-6-4-11-23(18)12-10-22-20/h3-13H,1-2H3
InChIKeyMJIMNJYSCHGURB-UHFFFAOYSA-N
XLogP4.51
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine (CID 118488445) is 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine is COc1cc(Oc2nccn3cccc23)ccc1-c1cccnc1C.
What is the InChIKey of 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine?
The InChIKey is MJIMNJYSCHGURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-16(5-3-9-21-14)17-8-7-15(13-19(17)24-2)25-20-18-6-4-11-23(18)12-10-22-20/h3-13H,1-2H3.
What are the key properties of 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine?
1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine has a molecular weight of 331.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methyl-3-pyridinyl)phenoxy]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 118488445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).