2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

C23H30N6O4 — CID 45269515

IUPAC2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(=O)[nH]c3)nc21
InChIInChI=1S/C23H30N6O4/c1-2-12-32-15-11-29-22-19(5-4-18(27-22)17-3-6-20(30)25-16-17)26-21(23(29)31)24-7-8-28-9-13-33-14-10-28/h3-6,16H,2,7-15H2,1H3,(H,24,26)(H,25,30)
InChIKeyWUWMDPONWUCUIR-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.32
Rot. Bonds10

About 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45269515) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45269515
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(=O)[nH]c3)nc21
InChIInChI=1S/C23H30N6O4/c1-2-12-32-15-11-29-22-19(5-4-18(27-22)17-3-6-20(30)25-16-17)26-21(23(29)31)24-7-8-28-9-13-33-14-10-28/h3-6,16H,2,7-15H2,1H3,(H,24,26)(H,25,30)
InChIKeyWUWMDPONWUCUIR-UHFFFAOYSA-N
XLogP1.32
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 45269515) is 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(=O)[nH]c3)nc21.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WUWMDPONWUCUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-2-12-32-15-11-29-22-19(5-4-18(27-22)17-3-6-20(30)25-16-17)26-21(23(29)31)24-7-8-28-9-13-33-14-10-28/h3-6,16H,2,7-15H2,1H3,(H,24,26)(H,25,30).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 454.53 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-6-(6-oxo-1H-pyridin-3-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45269515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).