(1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate

C24H21F3N6O4 — CID 71280648

About (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate

(1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate (PubChem CID 71280648) has the molecular formula C24H21F3N6O4 and a molecular weight of 514.46 g/mol. Its IUPAC name is (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
• PubChem CID: 71280648
• Molecular Formula: C24H21F3N6O4
• Molecular Weight: 514.46 g/mol
• Exact Mass: 514.16
• IUPAC Name: (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
• SMILES: Cc1ccc(-c2noc(CNC(=O)OC3(C)CC3)n2)cc1NC(=O)c1cnc2cc(C(F)(F)F)ccn12
• InChI: InChI=1S/C24H21F3N6O4/c1-13-3-4-14(20-31-19(37-32-20)12-29-22(35)36-23(2)6-7-23)9-16(13)30-21(34)17-11-28-18-10-15(24(25,26)27)5-8-33(17)18/h3-5,8-11H,6-7,12H2,1-2H3,(H,29,35)(H,30,34)
• InChIKey: NXELOAFEBVHTSP-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.46
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?

The IUPAC name of (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate (CID 71280648) is (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate.

What is the SMILES notation for (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?

The canonical SMILES for (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate is Cc1ccc(-c2noc(CNC(=O)OC3(C)CC3)n2)cc1NC(=O)c1cnc2cc(C(F)(F)F)ccn12.

What is the InChIKey of (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?

The InChIKey is NXELOAFEBVHTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O4/c1-13-3-4-14(20-31-19(37-32-20)12-29-22(35)36-23(2)6-7-23)9-16(13)30-21(34)17-11-28-18-10-15(24(25,26)27)5-8-33(17)18/h3-5,8-11H,6-7,12H2,1-2H3,(H,29,35)(H,30,34).

What are the key properties of (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?

(1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate has a molecular weight of 514.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopropyl) N-[[3-[4-methyl-3-[[7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 71280648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).