1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C23H24N6O3 — CID 70217281

IUPAC1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C23H24N6O3/c1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17/h2-5,12-14H,6-11,24H2,1H3
InChIKeyORXWRTNZEGZZFU-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.44
Rot. Bonds6

About 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 70217281) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID70217281
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C23H24N6O3/c1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17/h2-5,12-14H,6-11,24H2,1H3
InChIKeyORXWRTNZEGZZFU-UHFFFAOYSA-N
XLogP2.44
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 70217281) is 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.
What is the InChIKey of 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is ORXWRTNZEGZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17/h2-5,12-14H,6-11,24H2,1H3.
What are the key properties of 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 432.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70217281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).