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

C23H23FN6O2 — CID 129060507

IUPAC5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)on2)c(F)c1
InChIInChI=1S/C23H23FN6O2/c1-13(2)30-12-15(5-7-21(30)31)19-11-27-23(25)22(28-19)20-9-18(29-32-20)16-6-4-14(10-26-3)8-17(16)24/h4-9,11-13,26H,10H2,1-3H3,(H2,25,27)
InChIKeyKBQJLAWZZDNRAO-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.65
Rot. Bonds6

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

5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 129060507) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID129060507
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)on2)c(F)c1
InChIInChI=1S/C23H23FN6O2/c1-13(2)30-12-15(5-7-21(30)31)19-11-27-23(25)22(28-19)20-9-18(29-32-20)16-6-4-14(10-26-3)8-17(16)24/h4-9,11-13,26H,10H2,1-3H3,(H2,25,27)
InChIKeyKBQJLAWZZDNRAO-UHFFFAOYSA-N
XLogP3.65
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.65
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-[2-fluoro-4-(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-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 129060507) is 5-[5-amino-6-[3-[2-fluoro-4-(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-[2-fluoro-4-(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-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CNCc1ccc(-c2cc(-c3nc(-c4ccc(=O)n(C(C)C)c4)cnc3N)on2)c(F)c1.
What is the InChIKey of 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is KBQJLAWZZDNRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13(2)30-12-15(5-7-21(30)31)19-11-27-23(25)22(28-19)20-9-18(29-32-20)16-6-4-14(10-26-3)8-17(16)24/h4-9,11-13,26H,10H2,1-3H3,(H2,25,27).
What are the key properties of 5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 434.48 g/mol, XLogP of 3.65, 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-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 129060507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).