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

C24H30FN5O3 — CID 11992312

IUPAC7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C24H30FN5O3/c1-2-12-32-15-11-30-22-16-20(18-3-5-19(25)6-4-18)27-17-21(22)28-23(24(30)31)26-7-8-29-9-13-33-14-10-29/h3-6,16-17H,2,7-15H2,1H3,(H,26,28)
InChIKeyYPWMEKWSRIOVAN-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.77
Rot. Bonds10

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

7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11992312) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID11992312
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C24H30FN5O3/c1-2-12-32-15-11-30-22-16-20(18-3-5-19(25)6-4-18)27-17-21(22)28-23(24(30)31)26-7-8-29-9-13-33-14-10-29/h3-6,16-17H,2,7-15H2,1H3,(H,26,28)
InChIKeyYPWMEKWSRIOVAN-UHFFFAOYSA-N
XLogP2.77
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.77
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-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 11992312) is 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(F)cc3)cc21.
What is the InChIKey of 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is YPWMEKWSRIOVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-2-12-32-15-11-30-22-16-20(18-3-5-19(25)6-4-18)27-17-21(22)28-23(24(30)31)26-7-8-29-9-13-33-14-10-29/h3-6,16-17H,2,7-15H2,1H3,(H,26,28).
What are the key properties of 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 455.53 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11992312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).