5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one

C25H27FN6O2 — CID 54673416

IUPAC5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4cccc(C(C)N)c4F)no3)n2)ccc1=O
InChIInChI=1S/C25H27FN6O2/c1-4-16(5-2)32-13-15(9-10-22(32)33)20-12-29-25(28)24(30-20)21-11-19(31-34-21)18-8-6-7-17(14(3)27)23(18)26/h6-14,16H,4-5,27H2,1-3H3,(H2,28,29)
InChIKeyYIKUWISXMVORPU-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.73
Rot. Bonds7

About 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one

5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one (PubChem CID 54673416) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
PubChem CID54673416
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4cccc(C(C)N)c4F)no3)n2)ccc1=O
InChIInChI=1S/C25H27FN6O2/c1-4-16(5-2)32-13-15(9-10-22(32)33)20-12-29-25(28)24(30-20)21-11-19(31-34-21)18-8-6-7-17(14(3)27)23(18)26/h6-14,16H,4-5,27H2,1-3H3,(H2,28,29)
InChIKeyYIKUWISXMVORPU-UHFFFAOYSA-N
XLogP4.73
TPSA125.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.73
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-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one (CID 54673416) is 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one is CCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4cccc(C(C)N)c4F)no3)n2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The InChIKey is YIKUWISXMVORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-4-16(5-2)32-13-15(9-10-22(32)33)20-12-29-25(28)24(30-20)21-11-19(31-34-21)18-8-6-7-17(14(3)27)23(18)26/h6-14,16H,4-5,27H2,1-3H3,(H2,28,29).
What are the key properties of 5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
5-[5-amino-6-[3-[3-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one has a molecular weight of 462.53 g/mol, XLogP of 4.73, 7 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-(1-aminoethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one is sourced from PubChem (CID 54673416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).