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

C21H20BrFN6O2 — CID 70217063

IUPAC6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C21H20BrFN6O2/c22-18-19(24)29-20(27-21(18)31-8-5-28-3-6-30-7-4-28)16(12-26-29)14-9-13-10-15(23)1-2-17(13)25-11-14/h1-2,9-12H,3-8,24H2
InChIKeyVOXKCMYDEWOBMP-UHFFFAOYSA-N
MW487.33 g/mol
LogP3.14
Rot. Bonds5

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

6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70217063) has the molecular formula C21H20BrFN6O2 and a molecular weight of 487.33 g/mol. Its IUPAC name is 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70217063
Molecular FormulaC21H20BrFN6O2
Molecular Weight487.33 g/mol
Exact Mass486.08
IUPAC Name6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C21H20BrFN6O2/c22-18-19(24)29-20(27-21(18)31-8-5-28-3-6-30-7-4-28)16(12-26-29)14-9-13-10-15(23)1-2-17(13)25-11-14/h1-2,9-12H,3-8,24H2
InChIKeyVOXKCMYDEWOBMP-UHFFFAOYSA-N
XLogP3.14
TPSA90.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70217063) is 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn12.
What is the InChIKey of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VOXKCMYDEWOBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN6O2/c22-18-19(24)29-20(27-21(18)31-8-5-28-3-6-30-7-4-28)16(12-26-29)14-9-13-10-15(23)1-2-17(13)25-11-14/h1-2,9-12H,3-8,24H2.
What are the key properties of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 487.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).