4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline

C24H25FN8O — CID 167058477

About 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline

4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline (PubChem CID 167058477) has the molecular formula C24H25FN8O and a molecular weight of 460.52 g/mol. Its IUPAC name is 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline.

Molecular Properties

• Compound Name: 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
• PubChem CID: 167058477
• Molecular Formula: C24H25FN8O
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.21
• IUPAC Name: 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
• SMILES: COc1cc2c(-c3cnn4cc(N5CCC(C(C)(C)N=[N+]=[N-])CC5)cnc34)ccnc2cc1F
• InChI: InChI=1S/C24H25FN8O/c1-24(2,30-31-26)15-5-8-32(9-6-15)16-12-28-23-19(13-29-33(23)14-16)17-4-7-27-21-11-20(25)22(34-3)10-18(17)21/h4,7,10-15H,5-6,8-9H2,1-3H3
• InChIKey: JQOQQDFOLOUYJX-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 104.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?

The IUPAC name of 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline (CID 167058477) is 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline.

What is the SMILES notation for 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?

The canonical SMILES for 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline is COc1cc2c(-c3cnn4cc(N5CCC(C(C)(C)N=[N+]=[N-])CC5)cnc34)ccnc2cc1F.

What is the InChIKey of 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?

The InChIKey is JQOQQDFOLOUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O/c1-24(2,30-31-26)15-5-8-32(9-6-15)16-12-28-23-19(13-29-33(23)14-16)17-4-7-27-21-11-20(25)22(34-3)10-18(17)21/h4,7,10-15H,5-6,8-9H2,1-3H3.

What are the key properties of 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline?

4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline has a molecular weight of 460.52 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline is sourced from PubChem (CID 167058477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).