7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid

C₂₆H₂₁F₃N₄O₃ — CID 44525678

About 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid

7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 44525678) has the molecular formula C₂₆H₂₁F₃N₄O₃ and a molecular weight of 494.47 g/mol. Its IUPAC name is 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 44525678
• Molecular Formula: C₂₆H₂₁F₃N₄O₃
• Molecular Weight: 494.47 g/mol
• Exact Mass: 494.16
• IUPAC Name: 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(CNc2nccc3ccc(-c4ccc5nccn5c4)cc23)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H20N4O.C2HF3O2/c1-29-21-7-2-17(3-8-21)15-27-24-22-14-19(5-4-18(22)10-11-26-24)20-6-9-23-25-12-13-28(23)16-20;3-2(4,5)1(6)7/h2-14,16H,15H2,1H3,(H,26,27);(H,6,7)
• InChIKey: HFQXEIOSKDHFJU-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.47
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid (CID 44525678) is 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid is COc1ccc(CNc2nccc3ccc(-c4ccc5nccn5c4)cc23)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?

The InChIKey is HFQXEIOSKDHFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O.C2HF3O2/c1-29-21-7-2-17(3-8-21)15-27-24-22-14-19(5-4-18(22)10-11-26-24)20-6-9-23-25-12-13-28(23)16-20;3-2(4,5)1(6)7/h2-14,16H,15H2,1H3,(H,26,27);(H,6,7).

What are the key properties of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?

7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 494.47 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44525678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 44525678 — identifiers, structure, computed properties (public domain)

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