2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

C27H23N5O — CID 142692445

IUPAC2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C#Cc1nc2ncccc2nc1OCCn1ccc2ccccc21
InChIInChI=1S/C27H23N5O/c1-31(2)24-11-5-3-8-20(24)13-14-23-27(30-22-10-7-16-28-26(22)29-23)33-19-18-32-17-15-21-9-4-6-12-25(21)32/h3-12,15-17H,18-19H2,1-2H3
InChIKeyGRZAHPSLZIJWJL-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.52
Rot. Bonds5

About 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (PubChem CID 142692445) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
PubChem CID142692445
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C#Cc1nc2ncccc2nc1OCCn1ccc2ccccc21
InChIInChI=1S/C27H23N5O/c1-31(2)24-11-5-3-8-20(24)13-14-23-27(30-22-10-7-16-28-26(22)29-23)33-19-18-32-17-15-21-9-4-6-12-25(21)32/h3-12,15-17H,18-19H2,1-2H3
InChIKeyGRZAHPSLZIJWJL-UHFFFAOYSA-N
XLogP4.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
CID 142692394
3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
CID 71622699
3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
CID 142692480
4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine
CID 142692328
3-[3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 56658174
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
CID 142692398
3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine
CID 142692256
1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
CID 62025183
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile
CID 142692301
N,N-diethyl-4-[2-[2-(isoquinolin-3-ylmethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
CID 142692272
2-[4-[2-[2-(2,2-dimethyl-3-phenylpropoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]phenyl]ethanamine
CID 142692449

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (CID 142692445) is 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is CN(C)c1ccccc1C#Cc1nc2ncccc2nc1OCCn1ccc2ccccc21.
What is the InChIKey of 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The InChIKey is GRZAHPSLZIJWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-31(2)24-11-5-3-8-20(24)13-14-23-27(30-22-10-7-16-28-26(22)29-23)33-19-18-32-17-15-21-9-4-6-12-25(21)32/h3-12,15-17H,18-19H2,1-2H3.
What are the key properties of 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline has a molecular weight of 433.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 142692445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).