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

C47H43ClF7N7O3 — CID 163201679

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine (PubChem CID 163201679) has the molecular formula C47H43ClF7N7O3 and a molecular weight of 922.35 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;7-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
• PubChem CID: 163201679
• Molecular Formula: C47H43ClF7N7O3
• Molecular Weight: 922.35 g/mol
• Exact Mass: 921.30
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cc1nc(NCCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2n1
• InChI: InChI=1S/C29H28ClF3N4O2.C18H15F4N3O/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;1-11-24-16-10-13(19)4-7-15(16)17(25-11)23-9-8-12-2-5-14(6-3-12)26-18(20,21)22/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-7,10H,8-9H2,1H3,(H,23,24,25)
• InChIKey: DPXGOUDLRRJXBL-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 105.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.35
LogP ≤ 5	11.39
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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine (CID 163201679) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cc1nc(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;7-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?

The InChIKey is DPXGOUDLRRJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C18H15F4N3O/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;1-11-24-16-10-13(19)4-7-15(16)17(25-11)23-9-8-12-2-5-14(6-3-12)26-18(20,21)22/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-7,10H,8-9H2,1H3,(H,23,24,25).

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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 922.35 g/mol, XLogP of 11.39, 12 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-fluoro-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 163201679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).