3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one

C26H25N5O2 — CID 155457394

IUPAC3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2cnc3[nH]cc(-c4ccc(N5CCOC5=O)cc4)c3n2)cc2c1CCN(C)C2
InChIInChI=1S/C26H25N5O2/c1-16-11-18(12-19-15-30(2)8-7-21(16)19)23-14-28-25-24(29-23)22(13-27-25)17-3-5-20(6-4-17)31-9-10-33-26(31)32/h3-6,11-14H,7-10,15H2,1-2H3,(H,27,28)
InChIKeyOWZOPHUOGLCHRW-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.54
Rot. Bonds3

About 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one

3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 155457394) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID155457394
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2cnc3[nH]cc(-c4ccc(N5CCOC5=O)cc4)c3n2)cc2c1CCN(C)C2
InChIInChI=1S/C26H25N5O2/c1-16-11-18(12-19-15-30(2)8-7-21(16)19)23-14-28-25-24(29-23)22(13-27-25)17-3-5-20(6-4-17)31-9-10-33-26(31)32/h3-6,11-14H,7-10,15H2,1-2H3,(H,27,28)
InChIKeyOWZOPHUOGLCHRW-UHFFFAOYSA-N
XLogP4.54
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one (CID 155457394) is 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one is Cc1cc(-c2cnc3[nH]cc(-c4ccc(N5CCOC5=O)cc4)c3n2)cc2c1CCN(C)C2.
What is the InChIKey of 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OWZOPHUOGLCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-16-11-18(12-19-15-30(2)8-7-21(16)19)23-14-28-25-24(29-23)22(13-27-25)17-3-5-20(6-4-17)31-9-10-33-26(31)32/h3-6,11-14H,7-10,15H2,1-2H3,(H,27,28).
What are the key properties of 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 439.52 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 155457394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).