2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C26H25N7O — CID 118894255

About 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 118894255) has the molecular formula C26H25N7O and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

• Compound Name: 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• PubChem CID: 118894255
• Molecular Formula: C26H25N7O
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.22
• IUPAC Name: 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• SMILES: [2H]c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCNCC6)cn5)cnc34)cccc2n1
• InChI: InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-25(22)5-1)23-17-31-33-18-19(15-30-26(23)33)24-7-6-20(16-29-24)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2/i8D
• InChIKey: ULQWBLKUEAKIFZ-BNEYPBHNSA-N
• XLogP: 3.29
• TPSA: 80.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The IUPAC name of 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 118894255) is 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

What is the SMILES notation for 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The canonical SMILES for 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is [2H]c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCNCC6)cn5)cnc34)cccc2n1.

What is the InChIKey of 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The InChIKey is ULQWBLKUEAKIFZ-BNEYPBHNSA-N. The full InChI is InChI=1S/C26H25N7O/c1-3-21(22-4-2-8-28-25(22)5-1)23-17-31-33-18-19(15-30-26(23)33)24-7-6-20(16-29-24)34-14-13-32-11-9-27-10-12-32/h1-8,15-18,27H,9-14H2/i8D.

What are the key properties of 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 452.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-deuterio-5-[6-[5-(2-piperazin-1-ylethoxy)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 118894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).