tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate

C27H33F2N3O4 — CID 147590375

About tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate

tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate (PubChem CID 147590375) has the molecular formula C27H33F2N3O4 and a molecular weight of 501.57 g/mol. Its IUPAC name is tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate
• PubChem CID: 147590375
• Molecular Formula: C27H33F2N3O4
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.24
• IUPAC Name: tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)n2c1
• InChI: InChI=1S/C27H33F2N3O4/c1-16-13-21(35-15-18-19(28)9-8-10-20(18)29)24-30-17(2)23(32(24)14-16)25(34)31-27(6,7)12-11-22(33)36-26(3,4)5/h8-10,13-14H,11-12,15H2,1-7H3,(H,31,34)
• InChIKey: FYEGOEWDHYABRJ-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate?

The IUPAC name of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate (CID 147590375) is tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate.

What is the SMILES notation for tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate?

The canonical SMILES for tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)n2c1.

What is the InChIKey of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate?

The InChIKey is FYEGOEWDHYABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O4/c1-16-13-21(35-15-18-19(28)9-8-10-20(18)29)24-30-17(2)23(32(24)14-16)25(34)31-27(6,7)12-11-22(33)36-26(3,4)5/h8-10,13-14H,11-12,15H2,1-7H3,(H,31,34).

What are the key properties of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate?

tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate has a molecular weight of 501.57 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate is sourced from PubChem (CID 147590375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).