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

C44H40ClF6N7O2S — CID 163201799

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 163201799) has the molecular formula C44H40ClF6N7O2S and a molecular weight of 880.36 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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 163201799
• Molecular Formula: C44H40ClF6N7O2S
• Molecular Weight: 880.36 g/mol
• Exact Mass: 879.26
• 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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(CCNc2ncnc3sccc23)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C15H12F3N3S/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;16-15(17,18)11-3-1-10(2-4-11)5-7-19-13-12-6-8-22-14(12)21-9-20-13/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-4,6,8-9H,5,7H2,(H,19,20,21)
• InChIKey: BZPZFFDRGGHJTF-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.36
LogP ≤ 5	11.13
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;N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 163201799) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(CCNc2ncnc3sccc23)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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is BZPZFFDRGGHJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C15H12F3N3S/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;16-15(17,18)11-3-1-10(2-4-11)5-7-19-13-12-6-8-22-14(12)21-9-20-13/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-4,6,8-9H,5,7H2,(H,19,20,21).

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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-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-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 880.36 g/mol, XLogP of 11.13, 11 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;N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163201799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).