3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine

C34H25N3O3 — CID 142692322

IUPAC3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine
SMILESCOc1ccc2cc(C#Cc3nc4ncccc4nc3OCC(Oc3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C34H25N3O3/c1-38-29-18-17-26-21-24(14-16-27(26)22-29)15-19-31-34(37-30-13-8-20-35-33(30)36-31)39-23-32(25-9-4-2-5-10-25)40-28-11-6-3-7-12-28/h2-14,16-18,20-22,32H,23H2,1H3
InChIKeyUEQKNJVRBYSUMX-UHFFFAOYSA-N
MW523.59 g/mol
LogP6.79
Rot. Bonds7

About 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine

3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine (PubChem CID 142692322) has the molecular formula C34H25N3O3 and a molecular weight of 523.59 g/mol. Its IUPAC name is 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine
PubChem CID142692322
Molecular FormulaC34H25N3O3
Molecular Weight523.59 g/mol
Exact Mass523.19
IUPAC Name3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine
SMILESCOc1ccc2cc(C#Cc3nc4ncccc4nc3OCC(Oc3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C34H25N3O3/c1-38-29-18-17-26-21-24(14-16-27(26)22-29)15-19-31-34(37-30-13-8-20-35-33(30)36-31)39-23-32(25-9-4-2-5-10-25)40-28-11-6-3-7-12-28/h2-14,16-18,20-22,32H,23H2,1H3
InChIKeyUEQKNJVRBYSUMX-UHFFFAOYSA-N
XLogP6.79
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine (CID 142692322) is 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine is COc1ccc2cc(C#Cc3nc4ncccc4nc3OCC(Oc3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine?
The InChIKey is UEQKNJVRBYSUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O3/c1-38-29-18-17-26-21-24(14-16-27(26)22-29)15-19-31-34(37-30-13-8-20-35-33(30)36-31)39-23-32(25-9-4-2-5-10-25)40-28-11-6-3-7-12-28/h2-14,16-18,20-22,32H,23H2,1H3.
What are the key properties of 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine?
3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine has a molecular weight of 523.59 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-(2-phenoxy-2-phenylethoxy)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 142692322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).