N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine

C24H24F4N4 — CID 171531690

About N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine

N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 171531690) has the molecular formula C24H24F4N4 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

• Compound Name: N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine
• PubChem CID: 171531690
• Molecular Formula: C24H24F4N4
• Molecular Weight: 444.48 g/mol
• Exact Mass: 444.19
• IUPAC Name: N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine
• SMILES: CN1CCC(Nc2cccn3c(CC(F)(F)F)c(C#CCc4ccccc4)nc23)C(F)C1
• InChI: InChI=1S/C24H24F4N4/c1-31-14-12-19(18(25)16-31)29-21-11-6-13-32-22(15-24(26,27)28)20(30-23(21)32)10-5-9-17-7-3-2-4-8-17/h2-4,6-8,11,13,18-19,29H,9,12,14-16H2,1H3
• InChIKey: CPVKZAMTSOONPX-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 32.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.48
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?

The IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine (CID 171531690) is N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine.

What is the SMILES notation for N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?

The canonical SMILES for N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine is CN1CCC(Nc2cccn3c(CC(F)(F)F)c(C#CCc4ccccc4)nc23)C(F)C1.

What is the InChIKey of N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?

The InChIKey is CPVKZAMTSOONPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4/c1-31-14-12-19(18(25)16-31)29-21-11-6-13-32-22(15-24(26,27)28)20(30-23(21)32)10-5-9-17-7-3-2-4-8-17/h2-4,6-8,11,13,18-19,29H,9,12,14-16H2,1H3.

What are the key properties of N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?

N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 444.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-1-methylpiperidin-4-yl)-2-(3-phenylprop-1-ynyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 171531690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).