1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one

C24H28F3N5O3 — CID 11992409

IUPAC1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C24H28F3N5O3/c1-2-34-13-10-32-21-15-19(17-4-3-5-18(14-17)24(25,26)27)29-16-20(21)30-22(23(32)33)28-6-7-31-8-11-35-12-9-31/h3-5,14-16H,2,6-13H2,1H3,(H,28,30)
InChIKeySCYZYLBJXYIJQL-UHFFFAOYSA-N
MW491.51 g/mol
LogP3.26
Rot. Bonds9

About 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one

1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one (PubChem CID 11992409) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one
PubChem CID11992409
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC Name1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C24H28F3N5O3/c1-2-34-13-10-32-21-15-19(17-4-3-5-18(14-17)24(25,26)27)29-16-20(21)30-22(23(32)33)28-6-7-31-8-11-35-12-9-31/h3-5,14-16H,2,6-13H2,1H3,(H,28,30)
InChIKeySCYZYLBJXYIJQL-UHFFFAOYSA-N
XLogP3.26
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 53.26
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 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one (CID 11992409) is 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one is CCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one?
The InChIKey is SCYZYLBJXYIJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-2-34-13-10-32-21-15-19(17-4-3-5-18(14-17)24(25,26)27)29-16-20(21)30-22(23(32)33)28-6-7-31-8-11-35-12-9-31/h3-5,14-16H,2,6-13H2,1H3,(H,28,30).
What are the key properties of 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one?
1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one has a molecular weight of 491.51 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11992409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).