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

C51H41ClF9N7O3 — CID 163201687

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

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (PubChem CID 163201687) has the molecular formula C51H41ClF9N7O3 and a molecular weight of 1006.37 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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
• PubChem CID: 163201687
• Molecular Formula: C51H41ClF9N7O3
• Molecular Weight: 1006.37 g/mol
• Exact Mass: 1005.28
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4cc(C(F)(F)F)ccc34)cc2)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C22H13F6N3O/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;23-21(24,25)13-1-6-16(7-2-13)32-17-8-4-15(5-9-17)31-20-18-10-3-14(22(26,27)28)11-19(18)29-12-30-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12H,(H,29,30,31)
• InChIKey: KCOZOTXOGKEKCP-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 105.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.37
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (CID 163201687) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4cc(C(F)(F)F)ccc34)cc2)cc1.

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?

The InChIKey is KCOZOTXOGKEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C22H13F6N3O/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;23-21(24,25)13-1-6-16(7-2-13)32-17-8-4-15(5-9-17)31-20-18-10-3-14(22(26,27)28)11-19(18)29-12-30-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12H,(H,29,30,31).

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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine has a molecular weight of 1006.37 g/mol, XLogP of 13.97, 11 rotatable bonds, 2 hydrogen bond donors, and 9 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;7-(trifluoromethyl)-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 163201687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).