4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

C23H27FN4O3 — CID 45271142

IUPAC4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C23H27FN4O3/c1-2-30-14-11-28-22-20(8-7-19(27-22)17-3-5-18(24)6-4-17)26-21(23(28)29)25-15-16-9-12-31-13-10-16/h3-8,16H,2,9-15H2,1H3,(H,25,26)
InChIKeyLSGAVFJHQMPCRJ-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.47
Rot. Bonds8

About 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one

4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45271142) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45271142
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C23H27FN4O3/c1-2-30-14-11-28-22-20(8-7-19(27-22)17-3-5-18(24)6-4-17)26-21(23(28)29)25-15-16-9-12-31-13-10-16/h3-8,16H,2,9-15H2,1H3,(H,25,26)
InChIKeyLSGAVFJHQMPCRJ-UHFFFAOYSA-N
XLogP3.47
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45271142) is 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is CCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is LSGAVFJHQMPCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-2-30-14-11-28-22-20(8-7-19(27-22)17-3-5-18(24)6-4-17)26-21(23(28)29)25-15-16-9-12-31-13-10-16/h3-8,16H,2,9-15H2,1H3,(H,25,26).
What are the key properties of 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 426.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45271142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).