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

C48H40ClF6N7O5 — CID 163201973

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

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine (PubChem CID 163201973) has the molecular formula C48H40ClF6N7O5 and a molecular weight of 944.33 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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine
• PubChem CID: 163201973
• Molecular Formula: C48H40ClF6N7O5
• Molecular Weight: 944.33 g/mol
• Exact Mass: 943.27
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)Oc1ccc(Oc2ccc(Nc3ncnc4ccoc34)cc2)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C19H12F3N3O3/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;20-19(21,22)28-15-7-5-14(6-8-15)27-13-3-1-12(2-4-13)25-18-17-16(9-10-26-17)23-11-24-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11H,(H,23,24,25)
• InChIKey: PWBDTAVQBGYVCN-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 128.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.33
LogP ≤ 5	12.42
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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine (CID 163201973) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)Oc1ccc(Oc2ccc(Nc3ncnc4ccoc34)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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine?

The InChIKey is PWBDTAVQBGYVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C19H12F3N3O3/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;20-19(21,22)28-15-7-5-14(6-8-15)27-13-3-1-12(2-4-13)25-18-17-16(9-10-26-17)23-11-24-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11H,(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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine has a molecular weight of 944.33 g/mol, XLogP of 12.42, 12 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;N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 163201973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).