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

C23H23FN6O3 — CID 70217920

IUPAC1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C23H23FN6O3/c1-14(31)20-21(25)30-22(28-23(20)33-9-6-29-4-7-32-8-5-29)18(13-27-30)16-10-15-11-17(24)2-3-19(15)26-12-16/h2-3,10-13H,4-9,25H2,1H3
InChIKeyHHKFFDNDNUIUKK-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.58
Rot. Bonds6

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

1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 70217920) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID70217920
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C23H23FN6O3/c1-14(31)20-21(25)30-22(28-23(20)33-9-6-29-4-7-32-8-5-29)18(13-27-30)16-10-15-11-17(24)2-3-19(15)26-12-16/h2-3,10-13H,4-9,25H2,1H3
InChIKeyHHKFFDNDNUIUKK-UHFFFAOYSA-N
XLogP2.58
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 70217920) is 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N.
What is the InChIKey of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is HHKFFDNDNUIUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-14(31)20-21(25)30-22(28-23(20)33-9-6-29-4-7-32-8-5-29)18(13-27-30)16-10-15-11-17(24)2-3-19(15)26-12-16/h2-3,10-13H,4-9,25H2,1H3.
What are the key properties of 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 450.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70217920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).