tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate

C25H30F2N4O5 — CID 118402058

About tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate

tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate (PubChem CID 118402058) has the molecular formula C25H30F2N4O5 and a molecular weight of 504.53 g/mol. Its IUPAC name is tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate
• PubChem CID: 118402058
• Molecular Formula: C25H30F2N4O5
• Molecular Weight: 504.53 g/mol
• Exact Mass: 504.22
• IUPAC Name: tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NOCC(C)NC(=O)OC(C)(C)C)n2c1
• InChI: InChI=1S/C25H30F2N4O5/c1-14-10-20(34-13-17-18(26)8-7-9-19(17)27)22-29-16(3)21(31(22)11-14)23(32)30-35-12-15(2)28-24(33)36-25(4,5)6/h7-11,15H,12-13H2,1-6H3,(H,28,33)(H,30,32)
• InChIKey: SYUQNHMVVCIUTM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate (CID 118402058) is tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate.

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

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

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

The InChIKey is SYUQNHMVVCIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O5/c1-14-10-20(34-13-17-18(26)8-7-9-19(17)27)22-29-16(3)21(31(22)11-14)23(32)30-35-12-15(2)28-24(33)36-25(4,5)6/h7-11,15H,12-13H2,1-6H3,(H,28,33)(H,30,32).

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

tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate has a molecular weight of 504.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate is sourced from PubChem (CID 118402058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).