4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine

C58H60BrN13O6 — CID 160502936

About 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine

4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine (PubChem CID 160502936) has the molecular formula C58H60BrN13O6 and a molecular weight of 1117.12 g/mol. Its IUPAC name is 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine.

Molecular Properties

• Compound Name: 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
• PubChem CID: 160502936
• Molecular Formula: C58H60BrN13O6
• Molecular Weight: 1117.12 g/mol
• Exact Mass: 1115.41
• IUPAC Name: 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
• SMILES: Brc1cnn2cc(-c3ccc(OCCN4CCOCC4)cn3)cnc12.[2H]c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCOCC6)cn5)cnc34)cccc2n1.[2H]c1ccc2c(N3OC(C)(C)C(C)(C)O3)cccc2n1
• InChI: InChI=1S/C26H24N6O2.C17H18BrN5O2.C15H18N2O2/c1-3-21(22-4-2-8-27-25(22)5-1)23-17-30-32-18-19(15-29-26(23)32)24-7-6-20(16-28-24)34-14-11-31-9-12-33-13-10-31;18-15-11-21-23-12-13(9-20-17(15)23)16-2-1-14(10-19-16)25-8-5-22-3-6-24-7-4-22;1-14(2)15(3,4)19-17(18-14)13-9-5-8-12-11(13)7-6-10-16-12/h1-8,15-18H,9-14H2;1-2,9-12H,3-8H2;5-10H,1-4H3/i8D;;10D
• InChIKey: QSAGUZDGVZYQKT-AKDGAHEESA-N
• XLogP: 9.46
• TPSA: 177.04 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.12
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?

The IUPAC name of 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine (CID 160502936) is 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine.

What is the SMILES notation for 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?

The canonical SMILES for 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine is Brc1cnn2cc(-c3ccc(OCCN4CCOCC4)cn3)cnc12.[2H]c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCOCC6)cn5)cnc34)cccc2n1.[2H]c1ccc2c(N3OC(C)(C)C(C)(C)O3)cccc2n1.

What is the InChIKey of 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?

The InChIKey is QSAGUZDGVZYQKT-AKDGAHEESA-N. The full InChI is InChI=1S/C26H24N6O2.C17H18BrN5O2.C15H18N2O2/c1-3-21(22-4-2-8-27-25(22)5-1)23-17-30-32-18-19(15-29-26(23)32)24-7-6-20(16-28-24)34-14-11-31-9-12-33-13-10-31;18-15-11-21-23-12-13(9-20-17(15)23)16-2-1-14(10-19-16)25-8-5-22-3-6-24-7-4-22;1-14(2)15(3,4)19-17(18-14)13-9-5-8-12-11(13)7-6-10-16-12/h1-8,15-18H,9-14H2;1-2,9-12H,3-8H2;5-10H,1-4H3/i8D;;10D.

What are the key properties of 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?

4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine has a molecular weight of 1117.12 g/mol, XLogP of 9.46, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[6-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]oxy]ethyl]morpholine;4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine;2-(2-deuterioquinolin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxazolidine is sourced from PubChem (CID 160502936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).