ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate

C23H19F2N3O3 — CID 24853016

IUPACethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1
InChIInChI=1S/C23H19F2N3O3/c1-2-31-23(30)15-5-3-14(4-6-15)16-10-20-22(26-11-16)27-12-21(29)28(20)13-17-9-18(24)7-8-19(17)25/h3-11H,2,12-13H2,1H3,(H,26,27)
InChIKeyTZNIXJRIJMRSLA-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.16
Rot. Bonds5

About ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate

ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate (PubChem CID 24853016) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate
PubChem CID24853016
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Nameethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1
InChIInChI=1S/C23H19F2N3O3/c1-2-31-23(30)15-5-3-14(4-6-15)16-10-20-22(26-11-16)27-12-21(29)28(20)13-17-9-18(24)7-8-19(17)25/h3-11H,2,12-13H2,1H3,(H,26,27)
InChIKeyTZNIXJRIJMRSLA-UHFFFAOYSA-N
XLogP4.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate?
The IUPAC name of ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate (CID 24853016) is ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate.
What is the SMILES notation for ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate?
The canonical SMILES for ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate is CCOC(=O)c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1.
What is the InChIKey of ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate?
The InChIKey is TZNIXJRIJMRSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-2-31-23(30)15-5-3-14(4-6-15)16-10-20-22(26-11-16)27-12-21(29)28(20)13-17-9-18(24)7-8-19(17)25/h3-11H,2,12-13H2,1H3,(H,26,27).
What are the key properties of ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate?
ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate has a molecular weight of 423.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(2,5-difluorophenyl)methyl]-2-oxo-3,4-dihydropyrido[2,3-b]pyrazin-7-yl]benzoate is sourced from PubChem (CID 24853016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).