2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide

C26H28F2IN5O — CID 171484741

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide (PubChem CID 171484741) has the molecular formula C26H28F2IN5O and a molecular weight of 591.44 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide
• PubChem CID: 171484741
• Molecular Formula: C26H28F2IN5O
• Molecular Weight: 591.44 g/mol
• Exact Mass: 591.13
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide
• SMILES: O=C(Nc1cc(N2CCC(F)(F)CC2)c2ccnn2c1)c1ccc(I)cc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C26H28F2IN5O/c27-26(28)8-13-33(14-9-26)23-16-19(17-34-21(23)3-10-30-34)31-24(35)20-2-1-18(29)15-22(20)32-11-6-25(4-5-25)7-12-32/h1-3,10,15-17H,4-9,11-14H2,(H,31,35)
• InChIKey: QVIFJNHUZXVLET-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.44
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide (CID 171484741) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide is O=C(Nc1cc(N2CCC(F)(F)CC2)c2ccnn2c1)c1ccc(I)cc1N1CCC2(CC1)CC2.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide?

The InChIKey is QVIFJNHUZXVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2IN5O/c27-26(28)8-13-33(14-9-26)23-16-19(17-34-21(23)3-10-30-34)31-24(35)20-2-1-18(29)15-22(20)32-11-6-25(4-5-25)7-12-32/h1-3,10,15-17H,4-9,11-14H2,(H,31,35).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide has a molecular weight of 591.44 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide is sourced from PubChem (CID 171484741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).