5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C24H23IN6 — CID 77261166

About 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 77261166) has the molecular formula C24H23IN6 and a molecular weight of 522.39 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 77261166
• Molecular Formula: C24H23IN6
• Molecular Weight: 522.39 g/mol
• Exact Mass: 522.10
• IUPAC Name: 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Nc1c(I)c(C2CC3CCC(C2)N3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C24H23IN6/c25-21-22(16-10-17-7-8-18(11-16)29-17)30-24-19(13-28-31(24)23(21)26)15-6-9-20(27-12-15)14-4-2-1-3-5-14/h1-6,9,12-13,16-18,29H,7-8,10-11,26H2
• InChIKey: SVUXNTRKSJZJNP-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 81.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.39
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 77261166) is 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(I)c(C2CC3CCC(C2)N3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is SVUXNTRKSJZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23IN6/c25-21-22(16-10-17-7-8-18(11-16)29-17)30-24-19(13-28-31(24)23(21)26)15-6-9-20(27-12-15)14-4-2-1-3-5-14/h1-6,9,12-13,16-18,29H,7-8,10-11,26H2.

What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?

5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 522.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-azabicyclo[3.2.1]octan-3-yl)-6-iodo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 77261166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).