4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine

C16H18N4O — CID 91581712

IUPAC4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine
SMILESc1ccc(-c2cnc3c(n2)N(N2CCOCC2)CC3)cc1
InChIInChI=1S/C16H18N4O/c1-2-4-13(5-3-1)15-12-17-14-6-7-20(16(14)18-15)19-8-10-21-11-9-19/h1-5,12H,6-11H2
InChIKeyIVXHXWFOHVCYFA-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.75
Rot. Bonds2

About 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine

4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine (PubChem CID 91581712) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine
PubChem CID91581712
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine
SMILESc1ccc(-c2cnc3c(n2)N(N2CCOCC2)CC3)cc1
InChIInChI=1S/C16H18N4O/c1-2-4-13(5-3-1)15-12-17-14-6-7-20(16(14)18-15)19-8-10-21-11-9-19/h1-5,12H,6-11H2
InChIKeyIVXHXWFOHVCYFA-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine?
The IUPAC name of 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine (CID 91581712) is 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine.
What is the SMILES notation for 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine?
The canonical SMILES for 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine is c1ccc(-c2cnc3c(n2)N(N2CCOCC2)CC3)cc1.
What is the InChIKey of 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine?
The InChIKey is IVXHXWFOHVCYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-4-13(5-3-1)15-12-17-14-6-7-20(16(14)18-15)19-8-10-21-11-9-19/h1-5,12H,6-11H2.
What are the key properties of 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine?
4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine has a molecular weight of 282.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-6,7-dihydropyrrolo[2,3-b]pyrazin-5-yl)morpholine is sourced from PubChem (CID 91581712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).