4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine

C16H15BrN4O — CID 11681971

IUPAC4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine
SMILESBrc1cccc(-c2c[nH]c3ncc(N4CCOCC4)nc23)c1
InChIInChI=1S/C16H15BrN4O/c17-12-3-1-2-11(8-12)13-9-18-16-15(13)20-14(10-19-16)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19)
InChIKeyFHOCGGTZEQUIHT-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.22
Rot. Bonds2

About 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine

4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine (PubChem CID 11681971) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine
PubChem CID11681971
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine
SMILESBrc1cccc(-c2c[nH]c3ncc(N4CCOCC4)nc23)c1
InChIInChI=1S/C16H15BrN4O/c17-12-3-1-2-11(8-12)13-9-18-16-15(13)20-14(10-19-16)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19)
InChIKeyFHOCGGTZEQUIHT-UHFFFAOYSA-N
XLogP3.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine?
The IUPAC name of 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine (CID 11681971) is 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine is Brc1cccc(-c2c[nH]c3ncc(N4CCOCC4)nc23)c1.
What is the InChIKey of 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine?
The InChIKey is FHOCGGTZEQUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-12-3-1-2-11(8-12)13-9-18-16-15(13)20-14(10-19-16)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19).
What are the key properties of 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine?
4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine has a molecular weight of 359.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-bromophenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]morpholine is sourced from PubChem (CID 11681971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).