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

C47H41ClF7N7O5 — CID 163202174

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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid (PubChem CID 163202174) has the molecular formula C47H41ClF7N7O5 and a molecular weight of 952.33 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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid.

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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid
• PubChem CID: 163202174
• Molecular Formula: C47H41ClF7N7O5
• Molecular Weight: 952.33 g/mol
• Exact Mass: 951.27
• 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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(O)c1nc(NCCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2n1
• InChI: InChI=1S/C29H28ClF3N4O2.C18H13F4N3O3/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;19-11-3-6-13-14(9-11)24-16(17(26)27)25-15(13)23-8-7-10-1-4-12(5-2-10)28-18(20,21)22/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-6,9H,7-8H2,(H,26,27)(H,23,24,25)
• InChIKey: IGCWLLVPSXSQIT-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 143.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.33
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid?

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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid (CID 163202174) 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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid.

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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid?

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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(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;7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid?

The InChIKey is IGCWLLVPSXSQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C18H13F4N3O3/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;19-11-3-6-13-14(9-11)24-16(17(26)27)25-15(13)23-8-7-10-1-4-12(5-2-10)28-18(20,21)22/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-6,9H,7-8H2,(H,26,27)(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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid has a molecular weight of 952.33 g/mol, XLogP of 10.78, 13 rotatable bonds, 3 hydrogen bond donors, and 10 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-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 163202174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).