4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline

C23H24FN7O — CID 142464185

About 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline

4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline (PubChem CID 142464185) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline.

Molecular Properties

• Compound Name: 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
• PubChem CID: 142464185
• Molecular Formula: C23H24FN7O
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.20
• IUPAC Name: 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
• SMILES: COc1cc2c(-c3cnn4cc(N5CCN(C6CNC6)CC5)cnc34)ccnc2cc1F
• InChI: InChI=1S/C23H24FN7O/c1-32-22-8-18-17(2-3-26-21(18)9-20(22)24)19-13-28-31-14-16(12-27-23(19)31)30-6-4-29(5-7-30)15-10-25-11-15/h2-3,8-9,12-15,25H,4-7,10-11H2,1H3
• InChIKey: CUMXQBYSDWWYTQ-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 70.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline (CID 142464185) is 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline.

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

The canonical SMILES for 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline is COc1cc2c(-c3cnn4cc(N5CCN(C6CNC6)CC5)cnc34)ccnc2cc1F.

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

The InChIKey is CUMXQBYSDWWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-32-22-8-18-17(2-3-26-21(18)9-20(22)24)19-13-28-31-14-16(12-27-23(19)31)30-6-4-29(5-7-30)15-10-25-11-15/h2-3,8-9,12-15,25H,4-7,10-11H2,1H3.

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

4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline has a molecular weight of 433.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline is sourced from PubChem (CID 142464185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).