methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate

C28H27F2N3O4 — CID 90090885

About methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate

methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate (PubChem CID 90090885) has the molecular formula C28H27F2N3O4 and a molecular weight of 507.54 g/mol. Its IUPAC name is methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate.

Molecular Properties

• Compound Name: methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
• PubChem CID: 90090885
• Molecular Formula: C28H27F2N3O4
• Molecular Weight: 507.54 g/mol
• Exact Mass: 507.20
• IUPAC Name: methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
• SMILES: COC(=O)C(C)(C)c1cccc(CNC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)c1
• InChI: InChI=1S/C28H27F2N3O4/c1-17-24(26(34)31-15-18-8-5-9-19(14-18)28(2,3)27(35)36-4)33-13-7-12-23(25(33)32-17)37-16-20-21(29)10-6-11-22(20)30/h5-14H,15-16H2,1-4H3,(H,31,34)
• InChIKey: DPUNSYRZSPXOQG-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.54
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate?

The IUPAC name of methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate (CID 90090885) is methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate.

What is the SMILES notation for methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate?

The canonical SMILES for methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1cccc(CNC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)c1.

What is the InChIKey of methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate?

The InChIKey is DPUNSYRZSPXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O4/c1-17-24(26(34)31-15-18-8-5-9-19(14-18)28(2,3)27(35)36-4)33-13-7-12-23(25(33)32-17)37-16-20-21(29)10-6-11-22(20)30/h5-14H,15-16H2,1-4H3,(H,31,34).

What are the key properties of methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate?

methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate has a molecular weight of 507.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate is sourced from PubChem (CID 90090885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).