2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide

C27H29F3IN5O — CID 170784015

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide (PubChem CID 170784015) has the molecular formula C27H29F3IN5O and a molecular weight of 623.46 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide
• PubChem CID: 170784015
• Molecular Formula: C27H29F3IN5O
• Molecular Weight: 623.46 g/mol
• Exact Mass: 623.14
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide
• SMILES: O=C(Nc1cc(N2CCC(C(F)F)CC2)c2ncc(F)n2c1)c1ccc(I)cc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C27H29F3IN5O/c28-23-15-32-25-22(34-9-3-17(4-10-34)24(29)30)14-19(16-36(23)25)33-26(37)20-2-1-18(31)13-21(20)35-11-7-27(5-6-27)8-12-35/h1-2,13-17,24H,3-12H2,(H,33,37)
• InChIKey: UUEQRVXNWMSYBB-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.46
LogP ≤ 5	6.19
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-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide (CID 170784015) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide is O=C(Nc1cc(N2CCC(C(F)F)CC2)c2ncc(F)n2c1)c1ccc(I)cc1N1CCC2(CC1)CC2.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide?

The InChIKey is UUEQRVXNWMSYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3IN5O/c28-23-15-32-25-22(34-9-3-17(4-10-34)24(29)30)14-19(16-36(23)25)33-26(37)20-2-1-18(31)13-21(20)35-11-7-27(5-6-27)8-12-35/h1-2,13-17,24H,3-12H2,(H,33,37).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide has a molecular weight of 623.46 g/mol, XLogP of 6.19, 5 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-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide is sourced from PubChem (CID 170784015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).