6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

C24H30FN5O3 — CID 45268646

IUPAC6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C24H30FN5O3/c1-2-14-32-17-13-30-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(30)31)26-9-10-29-11-15-33-16-12-29/h3-8H,2,9-17H2,1H3,(H,26,27)
InChIKeyAPWGYFBRSNHSOD-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.77
Rot. Bonds10

About 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45268646) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45268646
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C24H30FN5O3/c1-2-14-32-17-13-30-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(30)31)26-9-10-29-11-15-33-16-12-29/h3-8H,2,9-17H2,1H3,(H,26,27)
InChIKeyAPWGYFBRSNHSOD-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 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 45268646) is 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is APWGYFBRSNHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-2-14-32-17-13-30-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(30)31)26-9-10-29-11-15-33-16-12-29/h3-8H,2,9-17H2,1H3,(H,26,27).
What are the key properties of 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-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 6-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45268646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).