3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine

C22H20F3N5 — CID 143908022

About 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine

3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine (PubChem CID 143908022) has the molecular formula C22H20F3N5 and a molecular weight of 411.43 g/mol. Its IUPAC name is 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine
• PubChem CID: 143908022
• Molecular Formula: C22H20F3N5
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.17
• IUPAC Name: 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine
• SMILES: NCC(F)(F)F.Nc1cccc(-c2cnc3cc(/C=C/c4ccccn4)ccn23)c1
• InChI: InChI=1S/C20H16N4.C2H4F3N/c21-17-5-3-4-16(13-17)19-14-23-20-12-15(9-11-24(19)20)7-8-18-6-1-2-10-22-18;3-2(4,5)1-6/h1-14H,21H2;1,6H2/b8-7+
• InChIKey: VZNBLGNQLXNODC-USRGLUTNSA-N
• XLogP: 4.66
• TPSA: 82.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine?

The IUPAC name of 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine (CID 143908022) is 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine.

What is the SMILES notation for 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine?

The canonical SMILES for 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine is NCC(F)(F)F.Nc1cccc(-c2cnc3cc(/C=C/c4ccccn4)ccn23)c1.

What is the InChIKey of 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine?

The InChIKey is VZNBLGNQLXNODC-USRGLUTNSA-N. The full InChI is InChI=1S/C20H16N4.C2H4F3N/c21-17-5-3-4-16(13-17)19-14-23-20-12-15(9-11-24(19)20)7-8-18-6-1-2-10-22-18;3-2(4,5)1-6/h1-14H,21H2;1,6H2/b8-7+;.

What are the key properties of 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine?

3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine has a molecular weight of 411.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]aniline;2,2,2-trifluoroethanamine is sourced from PubChem (CID 143908022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).