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

C23H28FN5O3 — CID 11992316

IUPAC1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C23H28FN5O3/c1-2-31-14-11-29-21-15-19(17-3-5-18(24)6-4-17)26-16-20(21)27-22(23(29)30)25-7-8-28-9-12-32-13-10-28/h3-6,15-16H,2,7-14H2,1H3,(H,25,27)
InChIKeyUGSBEFHKSMUISP-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.38
Rot. Bonds9

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

1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11992316) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one
PubChem CID11992316
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C23H28FN5O3/c1-2-31-14-11-29-21-15-19(17-3-5-18(24)6-4-17)26-16-20(21)27-22(23(29)30)25-7-8-28-9-12-32-13-10-28/h3-6,15-16H,2,7-14H2,1H3,(H,25,27)
InChIKeyUGSBEFHKSMUISP-UHFFFAOYSA-N
XLogP2.38
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.38
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)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one (CID 11992316) is 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one is CCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)cc3)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is UGSBEFHKSMUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-2-31-14-11-29-21-15-19(17-3-5-18(24)6-4-17)26-16-20(21)27-22(23(29)30)25-7-8-28-9-12-32-13-10-28/h3-6,15-16H,2,7-14H2,1H3,(H,25,27).
What are the key properties of 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 441.51 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11992316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).