methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate

C23H20F2N6O4 — CID 71280654

About methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate

methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate (PubChem CID 71280654) has the molecular formula C23H20F2N6O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate
• PubChem CID: 71280654
• Molecular Formula: C23H20F2N6O4
• Molecular Weight: 482.45 g/mol
• Exact Mass: 482.15
• IUPAC Name: methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate
• SMILES: COC(=O)NC1(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)CC(F)(F)C1
• InChI: InChI=1S/C23H20F2N6O4/c1-13-6-7-14(9-15(13)27-19(32)16-10-26-17-5-3-4-8-31(16)17)18-28-20(35-30-18)22(29-21(33)34-2)11-23(24,25)12-22/h3-10H,11-12H2,1-2H3,(H,27,32)(H,29,33)
• InChIKey: QRRXDPDVPOSIFC-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.45
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate?

The IUPAC name of methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate (CID 71280654) is methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate.

What is the SMILES notation for methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate?

The canonical SMILES for methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate is COC(=O)NC1(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)CC(F)(F)C1.

What is the InChIKey of methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate?

The InChIKey is QRRXDPDVPOSIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4/c1-13-6-7-14(9-15(13)27-19(32)16-10-26-17-5-3-4-8-31(16)17)18-28-20(35-30-18)22(29-21(33)34-2)11-23(24,25)12-22/h3-10H,11-12H2,1-2H3,(H,27,32)(H,29,33).

What are the key properties of methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate?

methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate has a molecular weight of 482.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3,3-difluoro-1-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]carbamate is sourced from PubChem (CID 71280654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).