6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C₄₅H₄₄F₄N₈O₆ — CID 154655608

About 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655608) has the molecular formula C₄₅H₄₄F₄N₈O₆ and a molecular weight of 868.89 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
• PubChem CID: 154655608
• Molecular Formula: C₄₅H₄₄F₄N₈O₆
• Molecular Weight: 868.89 g/mol
• Exact Mass: 868.33
• IUPAC Name: 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
• SMILES: CCOc1cc2nc([C@]34CCOC[C@H]3C4)cn2cc1NC(=O)c1nc(C(F)F)ccc1CCOc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1NC(=O)c1cccc(C(F)F)n1
• InChI: InChI=1S/C45H44F4N8O6/c1-3-61-32-15-37-55-35(45-12-14-60-22-26(45)17-45)21-57(37)18-30(32)53-42(59)38-25(7-8-28(51-38)40(48)49)9-13-62-33-16-36-54-34(44-11-10-43(2,23-44)63-24-44)20-56(36)19-31(33)52-41(58)29-6-4-5-27(50-29)39(46)47/h4-8,15-16,18-21,26,39-40H,3,9-14,17,22-24H2,1-2H3,(H,52,58)(H,53,59)/t26-,43?,44?,45+/m1/s1
• InChIKey: ZHDHCOOKXFQJSS-XEXYIAIASA-N
• XLogP: 8.06
• TPSA: 155.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.89
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655608) is 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc([C@]34CCOC[C@H]3C4)cn2cc1NC(=O)c1nc(C(F)F)ccc1CCOc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1NC(=O)c1cccc(C(F)F)n1.

What is the InChIKey of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

The InChIKey is ZHDHCOOKXFQJSS-XEXYIAIASA-N. The full InChI is InChI=1S/C45H44F4N8O6/c1-3-61-32-15-37-55-35(45-12-14-60-22-26(45)17-45)21-57(37)18-30(32)53-42(59)38-25(7-8-28(51-38)40(48)49)9-13-62-33-16-36-54-34(44-11-10-43(2,23-44)63-24-44)20-56(36)19-31(33)52-41(58)29-6-4-5-27(50-29)39(46)47/h4-8,15-16,18-21,26,39-40H,3,9-14,17,22-24H2,1-2H3,(H,52,58)(H,53,59)/t26-,43?,44?,45+/m1/s1.

What are the key properties of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 868.89 g/mol, XLogP of 8.06, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154655608 — identifiers, structure, computed properties (public domain)

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