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

C24H29FN4O3 — CID 45272874

IUPAC6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C24H29FN4O3/c1-2-12-31-15-11-29-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(29)30)26-16-17-9-13-32-14-10-17/h3-8,17H,2,9-16H2,1H3,(H,26,27)
InChIKeyUAMMPZAQBXSNGC-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.86
Rot. Bonds9

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

6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45272874) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45272874
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C24H29FN4O3/c1-2-12-31-15-11-29-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(29)30)26-16-17-9-13-32-14-10-17/h3-8,17H,2,9-16H2,1H3,(H,26,27)
InChIKeyUAMMPZAQBXSNGC-UHFFFAOYSA-N
XLogP3.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.86
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 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 45272874) is 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is UAMMPZAQBXSNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-2-12-31-15-11-29-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(29)30)26-16-17-9-13-32-14-10-17/h3-8,17H,2,9-16H2,1H3,(H,26,27).
What are the key properties of 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 440.52 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45272874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).