2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C30H28F6N4O — CID 90480139

About 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90480139) has the molecular formula C30H28F6N4O and a molecular weight of 574.57 g/mol. Its IUPAC name is 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90480139
• Molecular Formula: C30H28F6N4O
• Molecular Weight: 574.57 g/mol
• Exact Mass: 574.22
• IUPAC Name: 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2c(C(F)(F)F)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C30H28F6N4O/c1-2-25-26(40-15-3-4-24(27(40)38-25)30(34,35)36)28(41)37-18-19-5-11-23(12-6-19)39-16-13-21(14-17-39)20-7-9-22(10-8-20)29(31,32)33/h3-12,15,21H,2,13-14,16-18H2,1H3,(H,37,41)
• InChIKey: KDYOLWKJICCURG-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.57
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90480139) is 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2c(C(F)(F)F)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is KDYOLWKJICCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F6N4O/c1-2-25-26(40-15-3-4-24(27(40)38-25)30(34,35)36)28(41)37-18-19-5-11-23(12-6-19)39-16-13-21(14-17-39)20-7-9-22(10-8-20)29(31,32)33/h3-12,15,21H,2,13-14,16-18H2,1H3,(H,37,41).

What are the key properties of 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 574.57 g/mol, XLogP of 7.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).