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

C26H24N6O2 — CID 118894264

About 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[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 (PubChem CID 118894264) has the molecular formula C26H24N6O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine
• PubChem CID: 118894264
• Molecular Formula: C26H24N6O2
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.20
• IUPAC Name: 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine
• SMILES: [2H]c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCOCC6)cn5)cnc34)cccc2n1
• InChI: InChI=1S/C26H24N6O2/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/h1-8,15-18H,9-14H2/i8D
• InChIKey: JWSRLZGLCYGKSQ-BNEYPBHNSA-N
• XLogP: 3.72
• TPSA: 77.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine (CID 118894264) is 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine.

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

The canonical SMILES for 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine is [2H]c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCOCC6)cn5)cnc34)cccc2n1.

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

The InChIKey is JWSRLZGLCYGKSQ-BNEYPBHNSA-N. The full InChI is InChI=1S/C26H24N6O2/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/h1-8,15-18H,9-14H2/i8D.

What are the key properties of 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[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 has a molecular weight of 453.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine is sourced from PubChem (CID 118894264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).