6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate

C41H38F4N8O10 — CID 167554299

About 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate

6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 167554299) has the molecular formula C41H38F4N8O10 and a molecular weight of 878.79 g/mol. Its IUPAC name is 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 167554299
• Molecular Formula: C41H38F4N8O10
• Molecular Weight: 878.79 g/mol
• Exact Mass: 878.26
• IUPAC Name: 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: CC(F)(F)c1cccc(C(=O)Nc2cn3cc(C4COCCO4)nc3cc2C(=O)O)n1.COC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(C)(F)F)n1
• InChI: InChI=1S/C21H20F2N4O5.C20H18F2N4O5/c1-21(22,23)17-5-3-4-13(24-17)19(28)26-14-9-27-10-15(16-11-31-6-7-32-16)25-18(27)8-12(14)20(29)30-2;1-20(21,22)16-4-2-3-12(23-16)18(27)25-13-8-26-9-14(15-10-30-5-6-31-15)24-17(26)7-11(13)19(28)29/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,26,28);2-4,7-9,15H,5-6,10H2,1H3,(H,25,27)(H,28,29)
• InChIKey: CUQSRIAIWAQEOJ-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 219.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	878.79
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 167554299) is 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate is CC(F)(F)c1cccc(C(=O)Nc2cn3cc(C4COCCO4)nc3cc2C(=O)O)n1.COC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(C)(F)F)n1.

What is the InChIKey of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is CUQSRIAIWAQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O5.C20H18F2N4O5/c1-21(22,23)17-5-3-4-13(24-17)19(28)26-14-9-27-10-15(16-11-31-6-7-32-16)25-18(27)8-12(14)20(29)30-2;1-20(21,22)16-4-2-3-12(23-16)18(27)25-13-8-26-9-14(15-10-30-5-6-31-15)24-17(26)7-11(13)19(28)29/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,26,28);2-4,7-9,15H,5-6,10H2,1H3,(H,25,27)(H,28,29).

What are the key properties of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate?

6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 878.79 g/mol, XLogP of 5.85, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid;methyl 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 167554299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).