6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine

C49H43ClF6N8O3 — CID 163202092

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 163202092) has the molecular formula C49H43ClF6N8O3 and a molecular weight of 941.38 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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 163202092
• Molecular Formula: C49H43ClF6N8O3
• Molecular Weight: 941.38 g/mol
• Exact Mass: 940.31
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cn1ccc2ncnc(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c21
• InChI: InChI=1S/C29H28ClF3N4O2.C20H15F3N4O/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;1-27-11-10-17-18(27)19(25-12-24-17)26-14-4-8-16(9-5-14)28-15-6-2-13(3-7-15)20(21,22)23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-12H,1H3,(H,24,25,26)
• InChIKey: BUCQYUKTMURTNF-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 110.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.38
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	2
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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine (CID 163202092) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cn1ccc2ncnc(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c21.

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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is BUCQYUKTMURTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C20H15F3N4O/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;1-27-11-10-17-18(27)19(25-12-24-17)26-14-4-8-16(9-5-14)28-15-6-2-13(3-7-15)20(21,22)23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2-12H,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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 941.38 g/mol, XLogP of 12.29, 11 rotatable bonds, 2 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;5-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 163202092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).