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

C26H28N6O3 — CID 54674664

IUPAC5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCCO5)c4)cnc3N)on2)cc1
InChIInChI=1S/C26H28N6O3/c1-28-13-17-5-7-18(8-6-17)21-12-23(35-31-21)25-26(27)29-14-22(30-25)19-9-10-24(33)32(15-19)16-20-4-2-3-11-34-20/h5-10,12,14-15,20,28H,2-4,11,13,16H2,1H3,(H2,27,29)
InChIKeyRGPGRXBMYRCWMJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.50
Rot. Bonds7

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

5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one (PubChem CID 54674664) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one
PubChem CID54674664
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCCO5)c4)cnc3N)on2)cc1
InChIInChI=1S/C26H28N6O3/c1-28-13-17-5-7-18(8-6-17)21-12-23(35-31-21)25-26(27)29-14-22(30-25)19-9-10-24(33)32(15-19)16-20-4-2-3-11-34-20/h5-10,12,14-15,20,28H,2-4,11,13,16H2,1H3,(H2,27,29)
InChIKeyRGPGRXBMYRCWMJ-UHFFFAOYSA-N
XLogP3.50
TPSA121.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-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-(oxan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one (CID 54674664) is 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-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-(oxan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(CC5CCCCO5)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-(oxan-2-ylmethyl)pyridin-2-one?
The InChIKey is RGPGRXBMYRCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-28-13-17-5-7-18(8-6-17)21-12-23(35-31-21)25-26(27)29-14-22(30-25)19-9-10-24(33)32(15-19)16-20-4-2-3-11-34-20/h5-10,12,14-15,20,28H,2-4,11,13,16H2,1H3,(H2,27,29).
What are the key properties of 5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one?
5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-(oxan-2-ylmethyl)pyridin-2-one has a molecular weight of 472.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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-(oxan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54674664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).