3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine

C16H17BrN4O — CID 22105874

IUPAC3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine
SMILESCCCCc1cc(OCc2ccncc2)n2ncc(Br)c2n1
InChIInChI=1S/C16H17BrN4O/c1-2-3-4-13-9-15(21-16(20-13)14(17)10-19-21)22-11-12-5-7-18-8-6-12/h5-10H,2-4,11H2,1H3
InChIKeyLWLCGJFEWPEDRE-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.81
Rot. Bonds6

About 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine

3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 22105874) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID22105874
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine
SMILESCCCCc1cc(OCc2ccncc2)n2ncc(Br)c2n1
InChIInChI=1S/C16H17BrN4O/c1-2-3-4-13-9-15(21-16(20-13)14(17)10-19-21)22-11-12-5-7-18-8-6-12/h5-10H,2-4,11H2,1H3
InChIKeyLWLCGJFEWPEDRE-UHFFFAOYSA-N
XLogP3.81
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-bromo-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate
CID 19608378
2-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]propyl-propylamino]ethanol
CID 71058457
3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
CID 71055249
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
3-bromo-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine;3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158192871
pyridin-4-ylmethyl 6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylate
CID 141115027
3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 10088111
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
4-(dodecoxymethyl)pyridine
CID 175554630
1-[(4-butoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112798075
4-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]pyridine
CID 43324541
8-bromo-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 15230391

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine (CID 22105874) is 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine is CCCCc1cc(OCc2ccncc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LWLCGJFEWPEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-2-3-4-13-9-15(21-16(20-13)14(17)10-19-21)22-11-12-5-7-18-8-6-12/h5-10H,2-4,11H2,1H3.
What are the key properties of 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 361.24 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-butyl-7-(pyridin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22105874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).