4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine

C22H22N4O2S — CID 5329446

IUPAC4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cs1
InChIInChI=1S/C22H22N4O2S/c1-3-20(28-11-8-25-6-9-27-10-7-25)4-2-17(1)19-13-23-22-21(14-24-26(22)15-19)18-5-12-29-16-18/h1-5,12-16H,6-11H2
InChIKeyYUAOWJBCURIMGN-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.84
Rot. Bonds6

About 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine

4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (PubChem CID 5329446) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
PubChem CID5329446
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cs1
InChIInChI=1S/C22H22N4O2S/c1-3-20(28-11-8-25-6-9-27-10-7-25)4-2-17(1)19-13-23-22-21(14-24-26(22)15-19)18-5-12-29-16-18/h1-5,12-16H,6-11H2
InChIKeyYUAOWJBCURIMGN-UHFFFAOYSA-N
XLogP3.84
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (CID 5329446) is 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is c1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cs1.
What is the InChIKey of 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The InChIKey is YUAOWJBCURIMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-3-20(28-11-8-25-6-9-27-10-7-25)4-2-17(1)19-13-23-22-21(14-24-26(22)15-19)18-5-12-29-16-18/h1-5,12-16H,6-11H2.
What are the key properties of 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine has a molecular weight of 406.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 5329446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).