tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C52H58F9IN12O3 — CID 162145302

About tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 162145302) has the molecular formula C52H58F9IN12O3 and a molecular weight of 1197.00 g/mol. Its IUPAC name is tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 162145302
• Molecular Formula: C52H58F9IN12O3
• Molecular Weight: 1197.00 g/mol
• Exact Mass: 1196.37
• IUPAC Name: tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: C.C.C.CC(=O)N1CCN(c2cccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.FC(F)(F)c1ccc2ncc(I)n2c1
• InChI: InChI=1S/C22H24F3N5O2.C19H18F3N5O.C8H4F3IN2.3CH4/c1-21(2,3)32-20(31)29-11-9-28(10-12-29)19-6-4-5-16(27-19)17-13-26-18-8-7-15(14-30(17)18)22(23,24)25;1-13(28)25-7-9-26(10-8-25)18-4-2-3-15(24-18)16-11-23-17-6-5-14(12-27(16)17)19(20,21)22;9-8(10,11)5-1-2-7-13-3-6(12)14(7)4-5;;;/h4-8,13-14H,9-12H2,1-3H3;2-6,11-12H,7-10H2,1H3;1-4H;3*1H4
• InChIKey: ZKLYBOATVXTCSR-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 134.01 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.00
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 162145302) is tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is C.C.C.CC(=O)N1CCN(c2cccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.FC(F)(F)c1ccc2ncc(I)n2c1.

What is the InChIKey of tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is ZKLYBOATVXTCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2.C19H18F3N5O.C8H4F3IN2.3CH4/c1-21(2,3)32-20(31)29-11-9-28(10-12-29)19-6-4-5-16(27-19)17-13-26-18-8-7-15(14-30(17)18)22(23,24)25;1-13(28)25-7-9-26(10-8-25)18-4-2-3-15(24-18)16-11-23-17-6-5-14(12-27(16)17)19(20,21)22;9-8(10,11)5-1-2-7-13-3-6(12)14(7)4-5;;;/h4-8,13-14H,9-12H2,1-3H3;2-6,11-12H,7-10H2,1H3;1-4H;3*1H4.

What are the key properties of tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 1197.00 g/mol, XLogP of 12.42, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162145302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).