2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine

C21H20N4O — CID 56675422

IUPAC2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine
SMILESCN1CCCC(Oc2nc3cccnc3nc2C#Cc2ccccc2)C1
InChIInChI=1S/C21H20N4O/c1-25-14-6-9-17(15-25)26-21-19(12-11-16-7-3-2-4-8-16)23-20-18(24-21)10-5-13-22-20/h2-5,7-8,10,13,17H,6,9,14-15H2,1H3
InChIKeyLRVHKDFMCKPQGF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.90
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine

2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine (PubChem CID 56675422) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine
PubChem CID56675422
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine
SMILESCN1CCCC(Oc2nc3cccnc3nc2C#Cc2ccccc2)C1
InChIInChI=1S/C21H20N4O/c1-25-14-6-9-17(15-25)26-21-19(12-11-16-7-3-2-4-8-16)23-20-18(24-21)10-5-13-22-20/h2-5,7-8,10,13,17H,6,9,14-15H2,1H3
InChIKeyLRVHKDFMCKPQGF-UHFFFAOYSA-N
XLogP2.90
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.90
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 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine (CID 56675422) is 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine is CN1CCCC(Oc2nc3cccnc3nc2C#Cc2ccccc2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine?
The InChIKey is LRVHKDFMCKPQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25-14-6-9-17(15-25)26-21-19(12-11-16-7-3-2-4-8-16)23-20-18(24-21)10-5-13-22-20/h2-5,7-8,10,13,17H,6,9,14-15H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine?
2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine has a molecular weight of 344.42 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)oxy-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 56675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).