3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine

C21H22N4O — CID 163254608

IUPAC3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine
SMILESC(#Cc1nc2c(nc1OCCN1CCCC1)=CCCN=2)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-2-7-17(8-3-1)10-11-19-21(26-16-15-25-13-4-5-14-25)24-18-9-6-12-22-20(18)23-19/h1-3,7-9H,4-6,12-16H2
InChIKeyUJJKAPUQTBKGGQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine

3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine (PubChem CID 163254608) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine
PubChem CID163254608
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine
SMILESC(#Cc1nc2c(nc1OCCN1CCCC1)=CCCN=2)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-2-7-17(8-3-1)10-11-19-21(26-16-15-25-13-4-5-14-25)24-18-9-6-12-22-20(18)23-19/h1-3,7-9H,4-6,12-16H2
InChIKeyUJJKAPUQTBKGGQ-UHFFFAOYSA-N
XLogP1.15
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine?
The IUPAC name of 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine (CID 163254608) is 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine is C(#Cc1nc2c(nc1OCCN1CCCC1)=CCCN=2)c1ccccc1.
What is the InChIKey of 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine?
The InChIKey is UJJKAPUQTBKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-7-17(8-3-1)10-11-19-21(26-16-15-25-13-4-5-14-25)24-18-9-6-12-22-20(18)23-19/h1-3,7-9H,4-6,12-16H2.
What are the key properties of 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine?
3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine has a molecular weight of 346.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 163254608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).