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

C23H27F2N5O3 — CID 11992406

IUPAC7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C23H27F2N5O3/c1-2-32-12-9-30-21-14-19(16-3-4-17(24)18(25)13-16)27-15-20(21)28-22(23(30)31)26-5-6-29-7-10-33-11-8-29/h3-4,13-15H,2,5-12H2,1H3,(H,26,28)
InChIKeySAAFIWLGTVESHU-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.52
Rot. Bonds9

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

7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11992406) has the molecular formula C23H27F2N5O3 and a molecular weight of 459.50 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one
PubChem CID11992406
Molecular FormulaC23H27F2N5O3
Molecular Weight459.50 g/mol
Exact Mass459.21
IUPAC Name7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C23H27F2N5O3/c1-2-32-12-9-30-21-14-19(16-3-4-17(24)18(25)13-16)27-15-20(21)28-22(23(30)31)26-5-6-29-7-10-33-11-8-29/h3-4,13-15H,2,5-12H2,1H3,(H,26,28)
InChIKeySAAFIWLGTVESHU-UHFFFAOYSA-N
XLogP2.52
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.52
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 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one (CID 11992406) is 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one is CCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)c(F)c3)cc21.
What is the InChIKey of 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is SAAFIWLGTVESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O3/c1-2-32-12-9-30-21-14-19(16-3-4-17(24)18(25)13-16)27-15-20(21)28-22(23(30)31)26-5-6-29-7-10-33-11-8-29/h3-4,13-15H,2,5-12H2,1H3,(H,26,28).
What are the key properties of 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 459.50 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-3-(2-morpholin-4-ylethylamino)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11992406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).