5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one

C25H26N6O2 — CID 54672753

IUPAC5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3N)on2)cc1
InChIInChI=1S/C25H26N6O2/c1-27-13-16-6-8-17(9-7-16)20-12-22(33-30-20)24-25(26)28-14-21(29-24)18-10-11-23(32)31(15-18)19-4-2-3-5-19/h6-12,14-15,19,27H,2-5,13H2,1H3,(H2,26,28)
InChIKeyNRYJKPCDVIEKAG-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.04
Rot. Bonds6

About 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one

5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one (PubChem CID 54672753) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
PubChem CID54672753
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3N)on2)cc1
InChIInChI=1S/C25H26N6O2/c1-27-13-16-6-8-17(9-7-16)20-12-22(33-30-20)24-25(26)28-14-21(29-24)18-10-11-23(32)31(15-18)19-4-2-3-5-19/h6-12,14-15,19,27H,2-5,13H2,1H3,(H2,26,28)
InChIKeyNRYJKPCDVIEKAG-UHFFFAOYSA-N
XLogP4.04
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one (CID 54672753) is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C5CCCC5)c4)cnc3N)on2)cc1.
What is the InChIKey of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
The InChIKey is NRYJKPCDVIEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-27-13-16-6-8-17(9-7-16)20-12-22(33-30-20)24-25(26)28-14-21(29-24)18-10-11-23(32)31(15-18)19-4-2-3-5-19/h6-12,14-15,19,27H,2-5,13H2,1H3,(H2,26,28).
What are the key properties of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one has a molecular weight of 442.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 54672753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).