2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline

C24H19N5O — CID 11545641

IUPAC2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cnc4ccccc4n3)cc2)n1
InChIInChI=1S/C24H19N5O/c1-29-15-21(17-10-12-25-13-11-17)24(28-29)18-6-8-20(9-7-18)30-16-19-14-26-22-4-2-3-5-23(22)27-19/h2-15H,16H2,1H3
InChIKeyZMKCAJWGTIMPTC-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.67
Rot. Bonds5

About 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline (PubChem CID 11545641) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline.

Molecular Properties

Compound Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline
PubChem CID11545641
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3cnc4ccccc4n3)cc2)n1
InChIInChI=1S/C24H19N5O/c1-29-15-21(17-10-12-25-13-11-17)24(28-29)18-6-8-20(9-7-18)30-16-19-14-26-22-4-2-3-5-23(22)27-19/h2-15H,16H2,1H3
InChIKeyZMKCAJWGTIMPTC-UHFFFAOYSA-N
XLogP4.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline?
The IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline (CID 11545641) is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline.
What is the SMILES notation for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline?
The canonical SMILES for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cnc4ccccc4n3)cc2)n1.
What is the InChIKey of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline?
The InChIKey is ZMKCAJWGTIMPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-29-15-21(17-10-12-25-13-11-17)24(28-29)18-6-8-20(9-7-18)30-16-19-14-26-22-4-2-3-5-23(22)27-19/h2-15H,16H2,1H3.
What are the key properties of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline?
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline has a molecular weight of 393.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline is sourced from PubChem (CID 11545641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).