N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C26H23F5N4O3 — CID 90232287

About N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90232287) has the molecular formula C26H23F5N4O3 and a molecular weight of 534.49 g/mol. Its IUPAC name is N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90232287
• Molecular Formula: C26H23F5N4O3
• Molecular Weight: 534.49 g/mol
• Exact Mass: 534.17
• IUPAC Name: N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3cccc(OC(F)(F)F)c3)n2c1
• InChI: InChI=1S/C26H23F5N4O3/c1-14-9-22(37-13-18-19(27)7-4-8-20(18)28)24-33-15(2)23(35(24)12-14)25(36)34-21(11-32)16-5-3-6-17(10-16)38-26(29,30)31/h3-10,12,21H,11,13,32H2,1-2H3,(H,34,36)
• InChIKey: WMWAOVSGNYBBMM-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 90.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.49
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 90232287) is N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3cccc(OC(F)(F)F)c3)n2c1.

What is the InChIKey of N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WMWAOVSGNYBBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N4O3/c1-14-9-22(37-13-18-19(27)7-4-8-20(18)28)24-33-15(2)23(35(24)12-14)25(36)34-21(11-32)16-5-3-6-17(10-16)38-26(29,30)31/h3-10,12,21H,11,13,32H2,1-2H3,(H,34,36).

What are the key properties of N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 534.49 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-1-[3-(trifluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90232287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).