N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H18F3N5O6 — CID 144545153

About N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144545153) has the molecular formula C21H18F3N5O6 and a molecular weight of 493.40 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 144545153
• Molecular Formula: C21H18F3N5O6
• Molecular Weight: 493.40 g/mol
• Exact Mass: 493.12
• IUPAC Name: N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(COCC(F)(F)F)n2)cc1NC(=O)c1cnc2cc(C(O)(O)O)ccn12
• InChI: InChI=1S/C21H18F3N5O6/c1-11-2-3-12(18-27-17(35-28-18)9-34-10-20(22,23)24)6-14(11)26-19(30)15-8-25-16-7-13(21(31,32)33)4-5-29(15)16/h2-8,31-33H,9-10H2,1H3,(H,26,30)
• InChIKey: IYAJZHWFBKOPDE-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 155.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.40
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 144545153) is N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(COCC(F)(F)F)n2)cc1NC(=O)c1cnc2cc(C(O)(O)O)ccn12.

What is the InChIKey of N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is IYAJZHWFBKOPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O6/c1-11-2-3-12(18-27-17(35-28-18)9-34-10-20(22,23)24)6-14(11)26-19(30)15-8-25-16-7-13(21(31,32)33)4-5-29(15)16/h2-8,31-33H,9-10H2,1H3,(H,26,30).

What are the key properties of N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 493.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]-7-(trihydroxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144545153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).