N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate

C52H54F8N8O6 — CID 157054141

About N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate

N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate (PubChem CID 157054141) has the molecular formula C52H54F8N8O6 and a molecular weight of 1039.04 g/mol. Its IUPAC name is N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate
• PubChem CID: 157054141
• Molecular Formula: C52H54F8N8O6
• Molecular Weight: 1039.04 g/mol
• Exact Mass: 1038.40
• IUPAC Name: N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(CC(F)F)NC(=O)OCc3ccccc3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(N)CC(F)F)n2c1
• InChI: InChI=1S/C30H30F4N4O4.C22H24F4N4O2/c1-18-12-24(41-16-21-22(31)10-7-11-23(21)32)27-36-19(2)26(38(27)14-18)28(39)35-17-30(3,13-25(33)34)37-29(40)42-15-20-8-5-4-6-9-20;1-12-7-17(32-10-14-15(23)5-4-6-16(14)24)20-29-13(2)19(30(20)9-12)21(31)28-11-22(3,27)8-18(25)26/h4-12,14,25H,13,15-17H2,1-3H3,(H,35,39)(H,37,40);4-7,9,18H,8,10-11,27H2,1-3H3,(H,28,31)
• InChIKey: AANYLFHPGVYXOI-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 175.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.04
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate?

The IUPAC name of N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate (CID 157054141) is N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate.

What is the SMILES notation for N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate?

The canonical SMILES for N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(CC(F)F)NC(=O)OCc3ccccc3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(C)(N)CC(F)F)n2c1.

What is the InChIKey of N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate?

The InChIKey is AANYLFHPGVYXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N4O4.C22H24F4N4O2/c1-18-12-24(41-16-21-22(31)10-7-11-23(21)32)27-36-19(2)26(38(27)14-18)28(39)35-17-30(3,13-25(33)34)37-29(40)42-15-20-8-5-4-6-9-20;1-12-7-17(32-10-14-15(23)5-4-6-16(14)24)20-29-13(2)19(30(20)9-12)21(31)28-11-22(3,27)8-18(25)26/h4-12,14,25H,13,15-17H2,1-3H3,(H,35,39)(H,37,40);4-7,9,18H,8,10-11,27H2,1-3H3,(H,28,31).

What are the key properties of N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate?

N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate has a molecular weight of 1039.04 g/mol, XLogP of 9.79, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-4,4-difluoro-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4-difluoro-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 157054141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).