3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

C23H27N5O2 — CID 142692398

IUPAC3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)CCOCCOc1nc2cccnc2nc1C#Cc1cccc(N(C)C)c1
InChIInChI=1S/C23H27N5O2/c1-27(2)13-14-29-15-16-30-23-21(25-22-20(26-23)9-6-12-24-22)11-10-18-7-5-8-19(17-18)28(3)4/h5-9,12,17H,13-16H2,1-4H3
InChIKeyYPYOZWXXFPMGAS-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.45
Rot. Bonds8

About 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (PubChem CID 142692398) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
PubChem CID142692398
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)CCOCCOc1nc2cccnc2nc1C#Cc1cccc(N(C)C)c1
InChIInChI=1S/C23H27N5O2/c1-27(2)13-14-29-15-16-30-23-21(25-22-20(26-23)9-6-12-24-22)11-10-18-7-5-8-19(17-18)28(3)4/h5-9,12,17H,13-16H2,1-4H3
InChIKeyYPYOZWXXFPMGAS-UHFFFAOYSA-N
XLogP2.45
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (CID 142692398) is 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is CN(C)CCOCCOc1nc2cccnc2nc1C#Cc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The InChIKey is YPYOZWXXFPMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-27(2)13-14-29-15-16-30-23-21(25-22-20(26-23)9-6-12-24-22)11-10-18-7-5-8-19(17-18)28(3)4/h5-9,12,17H,13-16H2,1-4H3.
What are the key properties of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline has a molecular weight of 405.50 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 142692398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).