2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide

C18H16F3N3O2 — CID 95376486

About 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 95376486) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 95376486
• Molecular Formula: C18H16F3N3O2
• Molecular Weight: 363.34 g/mol
• Exact Mass: 363.12
• IUPAC Name: 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2ccccn2c1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C18H16F3N3O2/c1-12-15(24-10-6-5-9-14(24)23-12)16(25)22-11-17(26,18(19,20)21)13-7-3-2-4-8-13/h2-10,26H,11H2,1H3,(H,22,25)/t17-/m1/s1
• InChIKey: VEWNUSXMFDNHGS-QGZVFWFLSA-N
• XLogP: 2.82
• TPSA: 66.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.34
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 95376486) is 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F.

What is the InChIKey of 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is VEWNUSXMFDNHGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-12-15(24-10-6-5-9-14(24)23-12)16(25)22-11-17(26,18(19,20)21)13-7-3-2-4-8-13/h2-10,26H,11H2,1H3,(H,22,25)/t17-/m1/s1.

What are the key properties of 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide?

2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 95376486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).