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

C29H28ClF3N4O2 — CID 166060364

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

2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166060364) has the molecular formula C29H28ClF3N4O2 and a molecular weight of 557.02 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 166060364
• Molecular Formula: C29H28ClF3N4O2
• Molecular Weight: 557.02 g/mol
• Exact Mass: 556.19
• IUPAC Name: 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCN(Cc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)C(=O)c1c(Cl)nc2ccccn12
• InChI: InChI=1S/C29H28ClF3N4O2/c1-2-35(28(38)26-27(30)34-25-5-3-4-16-37(25)26)19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(13-9-21)39-29(31,32)33/h3-13,16,22H,2,14-15,17-19H2,1H3
• InChIKey: SFCLJBHECHSPPX-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 50.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.02
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 166060364) is 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCN(Cc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)C(=O)c1c(Cl)nc2ccccn12.

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

The InChIKey is SFCLJBHECHSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2/c1-2-35(28(38)26-27(30)34-25-5-3-4-16-37(25)26)19-20-6-10-23(11-7-20)36-17-14-22(15-18-36)21-8-12-24(13-9-21)39-29(31,32)33/h3-13,16,22H,2,14-15,17-19H2,1H3.

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

2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 557.02 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 166060364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).