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

C48H43ClF7N7O5 — CID 163201716

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

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate (PubChem CID 163201716) has the molecular formula C48H43ClF7N7O5 and a molecular weight of 966.35 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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate
• PubChem CID: 163201716
• Molecular Formula: C48H43ClF7N7O5
• Molecular Weight: 966.35 g/mol
• Exact Mass: 965.29
• 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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COC(=O)c1nc(NCCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2n1
• InChI: InChI=1S/C29H28ClF3N4O2.C19H15F4N3O3/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;1-28-18(27)17-25-15-10-12(20)4-7-14(15)16(26-17)24-9-8-11-2-5-13(6-3-11)29-19(21,22)23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-7,10H,8-9H2,1H3,(H,24,25,26)
• InChIKey: SGJYXDINQOAMMT-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 132.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.35
LogP ≤ 5	10.87
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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate (CID 163201716) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.COC(=O)c1nc(NCCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2n1.

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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate?

The InChIKey is SGJYXDINQOAMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C19H15F4N3O3/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;1-28-18(27)17-25-15-10-12(20)4-7-14(15)16(26-17)24-9-8-11-2-5-13(6-3-11)29-19(21,22)23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-7,10H,8-9H2,1H3,(H,24,25,26).

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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate has a molecular weight of 966.35 g/mol, XLogP of 10.87, 13 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 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate is sourced from PubChem (CID 163201716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).