tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate

C19H18FN3O4 — CID 147706697

IUPACtert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F
InChIInChI=1S/C19H18FN3O4/c1-19(2,3)27-16(25)8-11-4-5-12(9-13(11)20)26-14-6-7-21-18-17(14)22-10-15(24)23-18/h4-7,9-10H,8H2,1-3H3,(H,21,23,24)
InChIKeyGTXUFUUBRCACSY-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate

tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate (PubChem CID 147706697) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
PubChem CID147706697
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Nametert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F
InChIInChI=1S/C19H18FN3O4/c1-19(2,3)27-16(25)8-11-4-5-12(9-13(11)20)26-14-6-7-21-18-17(14)22-10-15(24)23-18/h4-7,9-10H,8H2,1-3H3,(H,21,23,24)
InChIKeyGTXUFUUBRCACSY-UHFFFAOYSA-N
XLogP3.13
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate?
The IUPAC name of tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate (CID 147706697) is tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate?
The canonical SMILES for tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate is CC(C)(C)OC(=O)Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F.
What is the InChIKey of tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate?
The InChIKey is GTXUFUUBRCACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-19(2,3)27-16(25)8-11-4-5-12(9-13(11)20)26-14-6-7-21-18-17(14)22-10-15(24)23-18/h4-7,9-10H,8H2,1-3H3,(H,21,23,24).
What are the key properties of tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate?
tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate has a molecular weight of 371.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate is sourced from PubChem (CID 147706697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).