7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C25H28FN7O — CID 142464191

About 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464191) has the molecular formula C25H28FN7O and a molecular weight of 461.55 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

• Compound Name: 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• PubChem CID: 142464191
• Molecular Formula: C25H28FN7O
• Molecular Weight: 461.55 g/mol
• Exact Mass: 461.23
• IUPAC Name: 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• SMILES: COc1cc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2cc1F
• InChI: InChI=1S/C25H28FN7O/c1-34-24-12-20-19(2-5-28-23(20)13-22(24)26)21-15-30-33-16-18(14-29-25(21)33)31-8-3-17(4-9-31)32-10-6-27-7-11-32/h2,5,12-17,27H,3-4,6-11H2,1H3
• InChIKey: XOTMIQVQGFEMNJ-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 70.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.55
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The IUPAC name of 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464191) is 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The canonical SMILES for 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2cc1F.

What is the InChIKey of 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The InChIKey is XOTMIQVQGFEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O/c1-34-24-12-20-19(2-5-28-23(20)13-22(24)26)21-15-30-33-16-18(14-29-25(21)33)31-8-3-17(4-9-31)32-10-6-27-7-11-32/h2,5,12-17,27H,3-4,6-11H2,1H3.

What are the key properties of 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 461.55 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).