3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C30H25F3N6O3 — CID 171683075

About 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171683075) has the molecular formula C30H25F3N6O3 and a molecular weight of 574.56 g/mol. Its IUPAC name is 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 171683075
• Molecular Formula: C30H25F3N6O3
• Molecular Weight: 574.56 g/mol
• Exact Mass: 574.19
• IUPAC Name: 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(C3CCN(C(=O)c4cccc(-c5noc(C(F)(F)F)n5)c4)CC3)cc2)nc2ccccn12
• InChI: InChI=1S/C30H25F3N6O3/c1-18-25(35-24-7-2-3-14-39(18)24)27(40)34-23-10-8-19(9-11-23)20-12-15-38(16-13-20)28(41)22-6-4-5-21(17-22)26-36-29(42-37-26)30(31,32)33/h2-11,14,17,20H,12-13,15-16H2,1H3,(H,34,40)
• InChIKey: WPJCFUJHODOZSA-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 105.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.56
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 171683075) is 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(C3CCN(C(=O)c4cccc(-c5noc(C(F)(F)F)n5)c4)CC3)cc2)nc2ccccn12.

What is the InChIKey of 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is WPJCFUJHODOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O3/c1-18-25(35-24-7-2-3-14-39(18)24)27(40)34-23-10-8-19(9-11-23)20-12-15-38(16-13-20)28(41)22-6-4-5-21(17-22)26-36-29(42-37-26)30(31,32)33/h2-11,14,17,20H,12-13,15-16H2,1H3,(H,34,40).

What are the key properties of 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 574.56 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperidin-4-yl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171683075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).