1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one

C23H23N5O2 — CID 71622559

IUPAC1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one
SMILESCN(C)c1ccc(C#Cc2nc3ncccc3nc2OCCN2CCCC2=O)cc1
InChIInChI=1S/C23H23N5O2/c1-27(2)18-10-7-17(8-11-18)9-12-20-23(26-19-5-3-13-24-22(19)25-20)30-16-15-28-14-4-6-21(28)29/h3,5,7-8,10-11,13H,4,6,14-16H2,1-2H3
InChIKeyRGGGFOADKKAOGA-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one

1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71622559) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71622559
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one
SMILESCN(C)c1ccc(C#Cc2nc3ncccc3nc2OCCN2CCCC2=O)cc1
InChIInChI=1S/C23H23N5O2/c1-27(2)18-10-7-17(8-11-18)9-12-20-23(26-19-5-3-13-24-22(19)25-20)30-16-15-28-14-4-6-21(28)29/h3,5,7-8,10-11,13H,4,6,14-16H2,1-2H3
InChIKeyRGGGFOADKKAOGA-UHFFFAOYSA-N
XLogP2.49
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one (CID 71622559) is 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one is CN(C)c1ccc(C#Cc2nc3ncccc3nc2OCCN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is RGGGFOADKKAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(2)18-10-7-17(8-11-18)9-12-20-23(26-19-5-3-13-24-22(19)25-20)30-16-15-28-14-4-6-21(28)29/h3,5,7-8,10-11,13H,4,6,14-16H2,1-2H3.
What are the key properties of 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 401.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71622559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).