7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine

C23H22IN5O — CID 142749831

About 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine

7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 142749831) has the molecular formula C23H22IN5O and a molecular weight of 511.37 g/mol. Its IUPAC name is 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine
• PubChem CID: 142749831
• Molecular Formula: C23H22IN5O
• Molecular Weight: 511.37 g/mol
• Exact Mass: 511.09
• IUPAC Name: 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine
• SMILES: Nc1ncc(I)c2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCNC1
• InChI: InChI=1S/C23H22IN5O/c24-19-14-27-23(25)20-21(28-29(22(19)20)16-5-4-12-26-13-16)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,14,16,26H,4-5,12-13H2,(H2,25,27)
• InChIKey: LJMLFUPXQYJOLT-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 77.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.37
LogP ≤ 5	5.00
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 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine?

The IUPAC name of 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine (CID 142749831) is 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine.

What is the SMILES notation for 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine?

The canonical SMILES for 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine is Nc1ncc(I)c2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCNC1.

What is the InChIKey of 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine?

The InChIKey is LJMLFUPXQYJOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22IN5O/c24-19-14-27-23(25)20-21(28-29(22(19)20)16-5-4-12-26-13-16)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,14,16,26H,4-5,12-13H2,(H2,25,27).

What are the key properties of 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine?

7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 511.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 142749831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).