4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate

C18H20N4O3 — CID 19608343

IUPAC4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate
SMILESCC(=O)OC(C)CCc1cc(OCc2cccnc2)n2nccc2n1
InChIInChI=1S/C18H20N4O3/c1-13(25-14(2)23)5-6-16-10-18(22-17(21-16)7-9-20-22)24-12-15-4-3-8-19-11-15/h3-4,7-11,13H,5-6,12H2,1-2H3
InChIKeyAPZWHLSCJPDGIN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.59
Rot. Bonds7

About 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate

4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate (PubChem CID 19608343) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate.

Molecular Properties

Compound Name4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate
PubChem CID19608343
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate
SMILESCC(=O)OC(C)CCc1cc(OCc2cccnc2)n2nccc2n1
InChIInChI=1S/C18H20N4O3/c1-13(25-14(2)23)5-6-16-10-18(22-17(21-16)7-9-20-22)24-12-15-4-3-8-19-11-15/h3-4,7-11,13H,5-6,12H2,1-2H3
InChIKeyAPZWHLSCJPDGIN-UHFFFAOYSA-N
XLogP2.59
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
5-but-3-enyl-7-phenylmethoxypyrazolo[1,5-a]pyrimidine
CID 19608434
propan-2-yl 2-(pyridin-3-ylmethoxy)acetate
CID 83214187
5-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95861751
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
propan-2-yl 2-cyano-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoate
CID 75693032
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
ethane;1-methyl-7-propan-2-yl-5-(pyridin-3-ylmethoxy)indole-2-carboxylic acid
CID 145364108
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
prop-1-ene;2-[3-[3-[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]hexyl]phenyl]propanenitrile
CID 142870818
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002

Frequently Asked Questions

What is the IUPAC name of 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate?
The IUPAC name of 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate (CID 19608343) is 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate.
What is the SMILES notation for 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate?
The canonical SMILES for 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate is CC(=O)OC(C)CCc1cc(OCc2cccnc2)n2nccc2n1.
What is the InChIKey of 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate?
The InChIKey is APZWHLSCJPDGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(25-14(2)23)5-6-16-10-18(22-17(21-16)7-9-20-22)24-12-15-4-3-8-19-11-15/h3-4,7-11,13H,5-6,12H2,1-2H3.
What are the key properties of 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate?
4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate has a molecular weight of 340.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate is sourced from PubChem (CID 19608343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).