7-bromo-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

C50H41BrClF6N7O3 — CID 163202294

About 7-bromo-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-bromo-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 (PubChem CID 163202294) has the molecular formula C50H41BrClF6N7O3 and a molecular weight of 1017.27 g/mol. Its IUPAC name is 7-bromo-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.

Molecular Properties

• Compound Name: 7-bromo-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
• PubChem CID: 163202294
• Molecular Formula: C50H41BrClF6N7O3
• Molecular Weight: 1017.27 g/mol
• Exact Mass: 1015.20
• IUPAC Name: 7-bromo-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
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4cc(Br)ccc34)cc2)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C21H13BrF3N3O/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;22-14-3-10-18-19(11-14)26-12-27-20(18)28-15-4-8-17(9-5-15)29-16-6-1-13(2-7-16)21(23,24)25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12H,(H,26,27,28)
• InChIKey: HLDHDOQLUXFZEK-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 105.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.27
LogP ≤ 5	13.71
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 7-bromo-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?

The IUPAC name of 7-bromo-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 (CID 163202294) is 7-bromo-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.

What is the SMILES notation for 7-bromo-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?

The canonical SMILES for 7-bromo-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 is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4cc(Br)ccc34)cc2)cc1.

What is the InChIKey of 7-bromo-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?

The InChIKey is HLDHDOQLUXFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C21H13BrF3N3O/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;22-14-3-10-18-19(11-14)26-12-27-20(18)28-15-4-8-17(9-5-15)29-16-6-1-13(2-7-16)21(23,24)25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12H,(H,26,27,28).

What are the key properties of 7-bromo-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-bromo-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 has a molecular weight of 1017.27 g/mol, XLogP of 13.71, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-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 is sourced from PubChem (CID 163202294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).