3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine

C22H22N4O2 — CID 71622699

IUPAC3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
SMILESCOc1ccc(C#Cc2nc3ncccc3nc2OCCN2CCCC2)cc1
InChIInChI=1S/C22H22N4O2/c1-27-18-9-6-17(7-10-18)8-11-20-22(28-16-15-26-13-2-3-14-26)25-19-5-4-12-23-21(19)24-20/h4-7,9-10,12H,2-3,13-16H2,1H3
InChIKeySAFYHJXRZGKVNF-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.91
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine

3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine (PubChem CID 71622699) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
PubChem CID71622699
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
SMILESCOc1ccc(C#Cc2nc3ncccc3nc2OCCN2CCCC2)cc1
InChIInChI=1S/C22H22N4O2/c1-27-18-9-6-17(7-10-18)8-11-20-22(28-16-15-26-13-2-3-14-26)25-19-5-4-12-23-21(19)24-20/h4-7,9-10,12H,2-3,13-16H2,1H3
InChIKeySAFYHJXRZGKVNF-UHFFFAOYSA-N
XLogP2.91
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.91
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-(4-methoxyphenyl)ethynyl]-3-(2-pyrrolidin-1-ylethoxy)thieno[3,4-b]pyrazine
CID 90287231
4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine
CID 142692328
1-[2-[3-[2-[4-(dimethylamino)phenyl]ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]pyrrolidin-2-one
CID 71622559
3-[3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 56658174
N,N-dimethyl-4-[2-[3-(2-piperidin-1-ylethoxy)thieno[3,4-b]pyrazin-2-yl]ethynyl]aniline
CID 90287264
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)
CID 162210497
N,N-dimethyl-4-[2-[3-(3-pyrrolidin-1-ylpropoxy)thieno[3,4-b]pyrazin-2-yl]ethynyl]aniline
CID 90287261
2-[2-[2-(2-indol-1-ylethoxy)pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
CID 142692445
3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine
CID 142692256
3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine
CID 163254608
N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
CID 142692270

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine (CID 71622699) is 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine is COc1ccc(C#Cc2nc3ncccc3nc2OCCN2CCCC2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine?
The InChIKey is SAFYHJXRZGKVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-18-9-6-17(7-10-18)8-11-20-22(28-16-15-26-13-2-3-14-26)25-19-5-4-12-23-21(19)24-20/h4-7,9-10,12H,2-3,13-16H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine?
3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine has a molecular weight of 374.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethynyl]-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 71622699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).