5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one

C26H28FN5O2 — CID 58070289

IUPAC5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one
SMILESCCC(CC)c1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4F)no3)n2)c[nH]c1=O
InChIInChI=1S/C26H28FN5O2/c1-5-17(6-2)20-10-18(13-30-26(20)33)23-14-29-15(3)25(31-23)24-11-22(32-34-24)19-8-7-16(12-28-4)9-21(19)27/h7-11,13-14,17,28H,5-6,12H2,1-4H3,(H,30,33)
InChIKeyYQKIBECPARFPMJ-UHFFFAOYSA-N
MW461.54 g/mol
LogP5.22
Rot. Bonds8

About 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one

5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one (PubChem CID 58070289) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one
PubChem CID58070289
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one
SMILESCCC(CC)c1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4F)no3)n2)c[nH]c1=O
InChIInChI=1S/C26H28FN5O2/c1-5-17(6-2)20-10-18(13-30-26(20)33)23-14-29-15(3)25(31-23)24-11-22(32-34-24)19-8-7-16(12-28-4)9-21(19)27/h7-11,13-14,17,28H,5-6,12H2,1-4H3,(H,30,33)
InChIKeyYQKIBECPARFPMJ-UHFFFAOYSA-N
XLogP5.22
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-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

Related Compounds

3-ethyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one
CID 58070362
1-[3-fluoro-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 160515313
N-methyl-1-[3-methyl-4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 70883056
3-fluoro-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 58070270
5-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 59471613
3-[3-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
CID 135270056
N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 149229540
3-[3-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-methylphenyl)pyrazin-2-amine
CID 166971160
3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine
CID 59472047
1-cyclopentyl-5-[5-methyl-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-one
CID 58070487
1-[3-fluoro-4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 158106761
1-[4-[5-[6-(3-chloro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N-methylmethanamine
CID 153221613

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one?
The IUPAC name of 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one (CID 58070289) is 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one is CCC(CC)c1cc(-c2cnc(C)c(-c3cc(-c4ccc(CNC)cc4F)no3)n2)c[nH]c1=O.
What is the InChIKey of 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one?
The InChIKey is YQKIBECPARFPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-5-17(6-2)20-10-18(13-30-26(20)33)23-14-29-15(3)25(31-23)24-11-22(32-34-24)19-8-7-16(12-28-4)9-21(19)27/h7-11,13-14,17,28H,5-6,12H2,1-4H3,(H,30,33).
What are the key properties of 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one?
5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one has a molecular weight of 461.54 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-3-pentan-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 58070289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).