N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H14F4N4O — CID 71144093

About N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71144093) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 71144093
• Molecular Formula: C21H14F4N4O
• Molecular Weight: 414.36 g/mol
• Exact Mass: 414.11
• IUPAC Name: N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1
• InChI: InChI=1S/C21H14F4N4O/c22-16-2-1-9-27-19(16)18(13-3-6-15(7-4-13)21(23,24)25)28-20(30)14-5-8-17-26-10-11-29(17)12-14/h1-12,18H,(H,28,30)/t18-/m0/s1
• InChIKey: GCAYTEBIQXONEI-SFHVURJKSA-N
• XLogP: 4.41
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.36
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 71144093) is N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1.

What is the InChIKey of N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is GCAYTEBIQXONEI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-16-2-1-9-27-19(16)18(13-3-6-15(7-4-13)21(23,24)25)28-20(30)14-5-8-17-26-10-11-29(17)12-14/h1-12,18H,(H,28,30)/t18-/m0/s1.

What are the key properties of N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71144093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).