6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

C23H32N6O4 — CID 45270338

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3c(C)noc3C)nc21
InChIInChI=1S/C23H32N6O4/c1-4-12-31-15-11-29-22-19(6-5-18(26-22)20-16(2)27-33-17(20)3)25-21(23(29)30)24-7-8-28-9-13-32-14-10-28/h5-6H,4,7-15H2,1-3H3,(H,24,25)
InChIKeyFYFBFMCDHXMPMA-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.23
Rot. Bonds10

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45270338) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45270338
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3c(C)noc3C)nc21
InChIInChI=1S/C23H32N6O4/c1-4-12-31-15-11-29-22-19(6-5-18(26-22)20-16(2)27-33-17(20)3)25-21(23(29)30)24-7-8-28-9-13-32-14-10-28/h5-6H,4,7-15H2,1-3H3,(H,24,25)
InChIKeyFYFBFMCDHXMPMA-UHFFFAOYSA-N
XLogP2.23
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 45270338) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3c(C)noc3C)nc21.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is FYFBFMCDHXMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-4-12-31-15-11-29-22-19(6-5-18(26-22)20-16(2)27-33-17(20)3)25-21(23(29)30)24-7-8-28-9-13-32-14-10-28/h5-6H,4,7-15H2,1-3H3,(H,24,25).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 456.55 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45270338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).