6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine

C45H49ClF3N7O3 — CID 163202331

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(2E)-3,7-dimethylocta-2,6-dienyl]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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine (PubChem CID 163202331) has the molecular formula C45H49ClF3N7O3 and a molecular weight of 828.38 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;N-[(2E)-3,7-dimethylocta-2,6-dienyl]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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine
• PubChem CID: 163202331
• Molecular Formula: C45H49ClF3N7O3
• Molecular Weight: 828.38 g/mol
• Exact Mass: 827.35
• 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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine
• SMILES: CC(C)=CCC/C(C)=C/CNc1ncnc2ccoc12.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C16H21N3O/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;1-12(2)5-4-6-13(3)7-9-17-16-15-14(8-10-20-15)18-11-19-16/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);5,7-8,10-11H,4,6,9H2,1-3H3,(H,17,18,19)/b;13-7+
• InChIKey: RFBYYPYCVUGVRX-GBEVCWMPSA-N
• XLogP: 11.09
• TPSA: 109.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.38
LogP ≤ 5	11.09
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'}, {'alert_name': 'isolated_alkene', '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-[(2E)-3,7-dimethylocta-2,6-dienyl]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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine (CID 163202331) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(2E)-3,7-dimethylocta-2,6-dienyl]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-[(2E)-3,7-dimethylocta-2,6-dienyl]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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine is CC(C)=CCC/C(C)=C/CNc1ncnc2ccoc12.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine?

The InChIKey is RFBYYPYCVUGVRX-GBEVCWMPSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C16H21N3O/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;1-12(2)5-4-6-13(3)7-9-17-16-15-14(8-10-20-15)18-11-19-16/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);5,7-8,10-11H,4,6,9H2,1-3H3,(H,17,18,19)/b;13-7+.

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-[(2E)-3,7-dimethylocta-2,6-dienyl]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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine has a molecular weight of 828.38 g/mol, XLogP of 11.09, 13 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-[(2E)-3,7-dimethylocta-2,6-dienyl]furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 163202331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).