2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide

C55H56F6IN9O3 — CID 167666153

About 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide

2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide (PubChem CID 167666153) has the molecular formula C55H56F6IN9O3 and a molecular weight of 1132.00 g/mol. Its IUPAC name is 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide.

Molecular Properties

• Compound Name: 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
• PubChem CID: 167666153
• Molecular Formula: C55H56F6IN9O3
• Molecular Weight: 1132.00 g/mol
• Exact Mass: 1131.35
• IUPAC Name: 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
• SMILES: C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3ccccn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCN[C@@H]1CCc1ccc(C(F)(F)F)cn1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12
• InChI: InChI=1S/C27H26F3N5O.C14H19F3N2.C14H10N2O2.HI/c1-18-8-7-15-34(21(18)17-32-22-13-12-20(16-31-22)27(28,29)30)26(36)25-24(19-9-3-2-4-10-19)33-23-11-5-6-14-35(23)25;1-10-3-2-8-18-13(10)7-6-12-5-4-11(9-19-12)14(15,16)17;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;/h2-6,9-14,16,18,21H,7-8,15,17H2,1H3,(H,31,32);4-5,9-10,13,18H,2-3,6-8H2,1H3;1-9H,(H,17,18);1H/t18-,21-;10-,13-;;/m11../s1
• InChIKey: VWDHBYSSUPIORZ-XNXVEWRASA-N
• XLogP: 12.51
• TPSA: 142.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.00
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?

The IUPAC name of 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide (CID 167666153) is 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide.

What is the SMILES notation for 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?

The canonical SMILES for 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide is C[C@@H]1CCCN(C(=O)c2c(-c3ccccc3)nc3ccccn23)[C@@H]1CNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCN[C@@H]1CCc1ccc(C(F)(F)F)cn1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.

What is the InChIKey of 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?

The InChIKey is VWDHBYSSUPIORZ-XNXVEWRASA-N. The full InChI is InChI=1S/C27H26F3N5O.C14H19F3N2.C14H10N2O2.HI/c1-18-8-7-15-34(21(18)17-32-22-13-12-20(16-31-22)27(28,29)30)26(36)25-24(19-9-3-2-4-10-19)33-23-11-5-6-14-35(23)25;1-10-3-2-8-18-13(10)7-6-12-5-4-11(9-19-12)14(15,16)17;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;/h2-6,9-14,16,18,21H,7-8,15,17H2,1H3,(H,31,32);4-5,9-10,13,18H,2-3,6-8H2,1H3;1-9H,(H,17,18);1H/t18-,21-;10-,13-;;/m11../s1.

What are the key properties of 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?

2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide has a molecular weight of 1132.00 g/mol, XLogP of 12.51, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide is sourced from PubChem (CID 167666153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).