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

C23H29N5O3 — CID 45267771

IUPAC2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc21
InChIInChI=1S/C23H29N5O3/c1-2-12-30-15-11-28-22-20(4-3-19(27-22)18-5-9-24-10-6-18)26-21(23(28)29)25-16-17-7-13-31-14-8-17/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,26)
InChIKeyWFHWZZABOMLYBG-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.12
Rot. Bonds9

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

2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one (PubChem CID 45267771) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one
PubChem CID45267771
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc21
InChIInChI=1S/C23H29N5O3/c1-2-12-30-15-11-28-22-20(4-3-19(27-22)18-5-9-24-10-6-18)26-21(23(28)29)25-16-17-7-13-31-14-8-17/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,26)
InChIKeyWFHWZZABOMLYBG-UHFFFAOYSA-N
XLogP3.12
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one (CID 45267771) is 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc21.
What is the InChIKey of 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is WFHWZZABOMLYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-2-12-30-15-11-28-22-20(4-3-19(27-22)18-5-9-24-10-6-18)26-21(23(28)29)25-16-17-7-13-31-14-8-17/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,26).
What are the key properties of 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 423.52 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethylamino)-4-(2-propoxyethyl)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45267771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).