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

C18H19BrN4O2 — CID 52944688

IUPAC4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESBrc1cnn2cc(-c3ccc(OCCN4CCOCC4)cc3)cnc12
InChIInChI=1S/C18H19BrN4O2/c19-17-12-21-23-13-15(11-20-18(17)23)14-1-3-16(4-2-14)25-10-7-22-5-8-24-9-6-22/h1-4,11-13H,5-10H2
InChIKeyOQEOCGBTWFOYHC-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.87
Rot. Bonds5

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

4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (PubChem CID 52944688) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
PubChem CID52944688
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESBrc1cnn2cc(-c3ccc(OCCN4CCOCC4)cc3)cnc12
InChIInChI=1S/C18H19BrN4O2/c19-17-12-21-23-13-15(11-20-18(17)23)14-1-3-16(4-2-14)25-10-7-22-5-8-24-9-6-22/h1-4,11-13H,5-10H2
InChIKeyOQEOCGBTWFOYHC-UHFFFAOYSA-N
XLogP2.87
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118665090
4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 59495030
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
3-bromo-6-[4-(3-ethyloxetan-3-yl)oxyphenyl]pyrazolo[1,5-a]pyrimidine;3-bromo-6-[4-[3-(piperidin-1-ylmethyl)oxetan-3-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine
CID 157259143
4-[2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)oxyethyl]morpholine
CID 155727791
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
CID 71743370
4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 160502936
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
2,2,2-trifluoro-1-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanamine
CID 118664716
4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44577770
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 161049684

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (CID 52944688) is 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is Brc1cnn2cc(-c3ccc(OCCN4CCOCC4)cc3)cnc12.
What is the InChIKey of 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The InChIKey is OQEOCGBTWFOYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c19-17-12-21-23-13-15(11-20-18(17)23)14-1-3-16(4-2-14)25-10-7-22-5-8-24-9-6-22/h1-4,11-13H,5-10H2.
What are the key properties of 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine has a molecular weight of 403.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 52944688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).