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

C23H24N6O2 — CID 54672911

IUPAC5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCNCc1cccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)on2)c1
InChIInChI=1S/C23H24N6O2/c1-14(2)29-13-17(7-8-21(29)30)19-12-26-23(24)22(27-19)20-10-18(28-31-20)16-6-4-5-15(9-16)11-25-3/h4-10,12-14,25H,11H2,1-3H3,(H2,24,26)
InChIKeyZPQFMHYWCJKKMN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.51
Rot. Bonds6

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

5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 54672911) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID54672911
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCNCc1cccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)on2)c1
InChIInChI=1S/C23H24N6O2/c1-14(2)29-13-17(7-8-21(29)30)19-12-26-23(24)22(27-19)20-10-18(28-31-20)16-6-4-5-15(9-16)11-25-3/h4-10,12-14,25H,11H2,1-3H3,(H2,24,26)
InChIKeyZPQFMHYWCJKKMN-UHFFFAOYSA-N
XLogP3.51
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 54672911) is 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CNCc1cccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)on2)c1.
What is the InChIKey of 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is ZPQFMHYWCJKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14(2)29-13-17(7-8-21(29)30)19-12-26-23(24)22(27-19)20-10-18(28-31-20)16-6-4-5-15(9-16)11-25-3/h4-10,12-14,25H,11H2,1-3H3,(H2,24,26).
What are the key properties of 5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 416.49 g/mol, XLogP of 3.51, 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-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 54672911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).