3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C18H20BrN5O — CID 118665090

IUPAC3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2cc(-c3ccc(OCCN4CCCCC4)nc3)cnc12
InChIInChI=1S/C18H20BrN5O/c19-16-12-22-24-13-15(11-21-18(16)24)14-4-5-17(20-10-14)25-9-8-23-6-2-1-3-7-23/h4-5,10-13H,1-3,6-9H2
InChIKeyDVIZEWUUSQPYQY-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.42
Rot. Bonds5

About 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 118665090) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID118665090
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2cc(-c3ccc(OCCN4CCCCC4)nc3)cnc12
InChIInChI=1S/C18H20BrN5O/c19-16-12-22-24-13-15(11-21-18(16)24)14-4-5-17(20-10-14)25-9-8-23-6-2-1-3-7-23/h4-5,10-13H,1-3,6-9H2
InChIKeyDVIZEWUUSQPYQY-UHFFFAOYSA-N
XLogP3.42
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 52944688
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
3-bromo-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158044709
3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 159614326
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
5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 159099141
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 161049684
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
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
[3-methyl-5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]phenyl]methanol
CID 171674001
2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
CID 59495027

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 118665090) is 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is Brc1cnn2cc(-c3ccc(OCCN4CCCCC4)nc3)cnc12.
What is the InChIKey of 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DVIZEWUUSQPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c19-16-12-22-24-13-15(11-21-18(16)24)14-4-5-17(20-10-14)25-9-8-23-6-2-1-3-7-23/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 402.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118665090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).