3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine

C23H23N3O3 — CID 142692256

IUPAC3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine
SMILESCC1(COc2nc3cccnc3nc2C#Cc2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C23H23N3O3/c1-22(2)28-15-23(3,16-29-22)14-27-21-19(12-11-17-8-5-4-6-9-17)25-20-18(26-21)10-7-13-24-20/h4-10,13H,14-16H2,1-3H3
InChIKeyOZOUQHZUGGWPDX-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.59
Rot. Bonds3

About 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine

3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine (PubChem CID 142692256) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine
PubChem CID142692256
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine
SMILESCC1(COc2nc3cccnc3nc2C#Cc2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C23H23N3O3/c1-22(2)28-15-23(3,16-29-22)14-27-21-19(12-11-17-8-5-4-6-9-17)25-20-18(26-21)10-7-13-24-20/h4-10,13H,14-16H2,1-3H3
InChIKeyOZOUQHZUGGWPDX-UHFFFAOYSA-N
XLogP3.59
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.59
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-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine (CID 142692256) is 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine is CC1(COc2nc3cccnc3nc2C#Cc2ccccc2)COC(C)(C)OC1.
What is the InChIKey of 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine?
The InChIKey is OZOUQHZUGGWPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-22(2)28-15-23(3,16-29-22)14-27-21-19(12-11-17-8-5-4-6-9-17)25-20-18(26-21)10-7-13-24-20/h4-10,13H,14-16H2,1-3H3.
What are the key properties of 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine?
3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine has a molecular weight of 389.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 142692256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).