4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile

C25H16N6O — CID 142692301

IUPAC4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile
SMILESN#Cc1ccc(C#Cc2nc3ncccc3nc2OCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H16N6O/c26-16-18-9-7-17(8-10-18)11-12-22-25(31-21-6-3-14-27-24(21)30-22)32-15-13-23-28-19-4-1-2-5-20(19)29-23/h1-10,14H,13,15H2,(H,28,29)
InChIKeyHPWPTBBUTGAMTI-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.79
Rot. Bonds4

About 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile

4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile (PubChem CID 142692301) has the molecular formula C25H16N6O and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile
PubChem CID142692301
Molecular FormulaC25H16N6O
Molecular Weight416.44 g/mol
Exact Mass416.14
IUPAC Name4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile
SMILESN#Cc1ccc(C#Cc2nc3ncccc3nc2OCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H16N6O/c26-16-18-9-7-17(8-10-18)11-12-22-25(31-21-6-3-14-27-24(21)30-22)32-15-13-23-28-19-4-1-2-5-20(19)29-23/h1-10,14H,13,15H2,(H,28,29)
InChIKeyHPWPTBBUTGAMTI-UHFFFAOYSA-N
XLogP3.79
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 838912
N,N-diethyl-4-[2-[2-(isoquinolin-3-ylmethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
CID 142692272
4-(1H-benzimidazol-2-yl)butanenitrile
CID 12683083
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
CID 142692398
2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide
CID 46379395
8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
CID 139086197
CID 87640795
CID 87640795
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
CID 66737942
3-(1H-benzimidazol-2-yl)propanenitrile;N,N-dimethylformamide
CID 174781371

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile?
The IUPAC name of 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile (CID 142692301) is 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile.
What is the SMILES notation for 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile?
The canonical SMILES for 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile is N#Cc1ccc(C#Cc2nc3ncccc3nc2OCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile?
The InChIKey is HPWPTBBUTGAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O/c26-16-18-9-7-17(8-10-18)11-12-22-25(31-21-6-3-14-27-24(21)30-22)32-15-13-23-28-19-4-1-2-5-20(19)29-23/h1-10,14H,13,15H2,(H,28,29).
What are the key properties of 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile?
4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile has a molecular weight of 416.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]benzonitrile is sourced from PubChem (CID 142692301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).