5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C26H30N6O2 — CID 54672910

IUPAC5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC(C)(C)C)cc4)no3)n2)ccc1=O
InChIInChI=1S/C26H30N6O2/c1-16(2)32-15-19(10-11-23(32)33)21-14-28-25(27)24(30-21)22-12-20(31-34-22)18-8-6-17(7-9-18)13-29-26(3,4)5/h6-12,14-16,29H,13H2,1-5H3,(H2,27,28)
InChIKeyMESMNNUYFUDBFM-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.68
Rot. Bonds6

About 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 54672910) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID54672910
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC(C)(C)C)cc4)no3)n2)ccc1=O
InChIInChI=1S/C26H30N6O2/c1-16(2)32-15-19(10-11-23(32)33)21-14-28-25(27)24(30-21)22-12-20(31-34-22)18-8-6-17(7-9-18)13-29-26(3,4)5/h6-12,14-16,29H,13H2,1-5H3,(H2,27,28)
InChIKeyMESMNNUYFUDBFM-UHFFFAOYSA-N
XLogP4.68
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.68
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-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 54672910) is 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]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-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC(C)(C)C)cc4)no3)n2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is MESMNNUYFUDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-16(2)32-15-19(10-11-23(32)33)21-14-28-25(27)24(30-21)22-12-20(31-34-22)18-8-6-17(7-9-18)13-29-26(3,4)5/h6-12,14-16,29H,13H2,1-5H3,(H2,27,28).
What are the key properties of 5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[3-[4-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 458.57 g/mol, XLogP of 4.68, 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-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 54672910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).