Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine

C₄₂H₄₂F₆N₆O₇ — CID 159250551

About Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine

Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine (PubChem CID 159250551) has the molecular formula C₄₂H₄₂F₆N₆O₇ and a molecular weight of 856.82 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine.

Molecular Properties

• Compound Name: Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
• PubChem CID: 159250551
• Molecular Formula: C₄₂H₄₂F₆N₆O₇
• Molecular Weight: 856.82 g/mol
• Exact Mass: 856.30
• IUPAC Name: imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
• SMILES: FC(F)(F)Oc1cccc(CNC2CCOCC2)c1.O=C(O)c1cn2ccccc2n1.O=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1
• InChI: InChI=1S/C21H20F3N3O3.C13H16F3NO2.C8H6N2O2/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18;14-13(15,16)19-12-3-1-2-10(8-12)9-17-11-4-6-18-7-5-11;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-6,9,12,14,16H,7-8,10-11,13H2;1-3,8,11,17H,4-7,9H2;1-5H,(H,11,12)
• InChIKey: KVFXYUXFMSHPSL-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 141.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.82
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?

The IUPAC name of Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine (CID 159250551) is imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine.

What is the SMILES notation for Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?

The canonical SMILES for Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine is FC(F)(F)Oc1cccc(CNC2CCOCC2)c1.O=C(O)c1cn2ccccc2n1.O=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1.

What is the InChIKey of Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?

The InChIKey is KVFXYUXFMSHPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3.C13H16F3NO2.C8H6N2O2/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18;14-13(15,16)19-12-3-1-2-10(8-12)9-17-11-4-6-18-7-5-11;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-6,9,12,14,16H,7-8,10-11,13H2;1-3,8,11,17H,4-7,9H2;1-5H,(H,11,12).

What are the key properties of Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine?

Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine has a molecular weight of 856.82 g/mol, XLogP of 7.94, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 159250551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159250551 — identifiers, structure, computed properties (public domain)

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