2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one

C26H27N5O2 — CID 155347669

IUPAC2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one
SMILESCCOC1C=Cc2nc(-c3ccc(N)c(/C=N/C)c3)c(=O)n(-c3ccc(C4CC4)cc3)c2N1
InChIInChI=1S/C26H27N5O2/c1-3-33-23-13-12-22-25(30-23)31(20-9-6-17(7-10-20)16-4-5-16)26(32)24(29-22)18-8-11-21(27)19(14-18)15-28-2/h6-16,23,30H,3-5,27H2,1-2H3/b28-15+
InChIKeyXJDLBXHRKZRVDP-RWPZCVJISA-N
MW441.54 g/mol
LogP4.21
Rot. Bonds6

About 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one

2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one (PubChem CID 155347669) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one
PubChem CID155347669
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one
SMILESCCOC1C=Cc2nc(-c3ccc(N)c(/C=N/C)c3)c(=O)n(-c3ccc(C4CC4)cc3)c2N1
InChIInChI=1S/C26H27N5O2/c1-3-33-23-13-12-22-25(30-23)31(20-9-6-17(7-10-20)16-4-5-16)26(32)24(29-22)18-8-11-21(27)19(14-18)15-28-2/h6-16,23,30H,3-5,27H2,1-2H3/b28-15+
InChIKeyXJDLBXHRKZRVDP-RWPZCVJISA-N
XLogP4.21
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one (CID 155347669) is 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one is CCOC1C=Cc2nc(-c3ccc(N)c(/C=N/C)c3)c(=O)n(-c3ccc(C4CC4)cc3)c2N1.
What is the InChIKey of 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one?
The InChIKey is XJDLBXHRKZRVDP-RWPZCVJISA-N. The full InChI is InChI=1S/C26H27N5O2/c1-3-33-23-13-12-22-25(30-23)31(20-9-6-17(7-10-20)16-4-5-16)26(32)24(29-22)18-8-11-21(27)19(14-18)15-28-2/h6-16,23,30H,3-5,27H2,1-2H3/b28-15+.
What are the key properties of 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one?
2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one has a molecular weight of 441.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(methyliminomethyl)phenyl]-4-(4-cyclopropylphenyl)-6-ethoxy-5,6-dihydropyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 155347669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).