6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate

C52H44ClF6N7O5 — CID 163201742

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate (PubChem CID 163201742) has the molecular formula C52H44ClF6N7O5 and a molecular weight of 996.41 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate
• PubChem CID: 163201742
• Molecular Formula: C52H44ClF6N7O5
• Molecular Weight: 996.41 g/mol
• Exact Mass: 995.30
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COC(=O)c1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
• InChI: InChI=1S/C29H28ClF3N4O2.C23H16F3N3O3/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-31-22(30)14-2-11-19-20(12-14)27-13-28-21(19)29-16-5-9-18(10-6-16)32-17-7-3-15(4-8-17)23(24,25)26/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-13H,1H3,(H,27,28,29)
• InChIKey: YLNKJDZONHTTOU-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 132.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	996.41
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate?

The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate (CID 163201742) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate.

What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate?

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COC(=O)c1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1.

What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate?

The InChIKey is YLNKJDZONHTTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C23H16F3N3O3/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-31-22(30)14-2-11-19-20(12-14)27-13-28-21(19)29-16-5-9-18(10-6-16)32-17-7-3-15(4-8-17)23(24,25)26/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-13H,1H3,(H,27,28,29).

What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate has a molecular weight of 996.41 g/mol, XLogP of 12.73, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 4-[4-[4-(trifluoromethyl)phenoxy]anilino]quinazoline-7-carboxylate is sourced from PubChem (CID 163201742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).