methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate

C26H28F3N5O5 — CID 146386238

About methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 146386238) has the molecular formula C26H28F3N5O5 and a molecular weight of 547.53 g/mol. Its IUPAC name is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 146386238
• Molecular Formula: C26H28F3N5O5
• Molecular Weight: 547.53 g/mol
• Exact Mass: 547.20
• IUPAC Name: methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: COC(=O)c1cc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C26H28F3N5O5/c1-25(2,3)39-24(37)33-10-8-15(9-11-33)18-13-34-14-19(16(23(36)38-4)12-21(34)31-18)32-22(35)17-6-5-7-20(30-17)26(27,28)29/h5-7,12-15H,8-11H2,1-4H3,(H,32,35)
• InChIKey: VAQSJLUMCPFHNQ-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.53
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate (CID 146386238) is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is VAQSJLUMCPFHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O5/c1-25(2,3)39-24(37)33-10-8-15(9-11-33)18-13-34-14-19(16(23(36)38-4)12-21(34)31-18)32-22(35)17-6-5-7-20(30-17)26(27,28)29/h5-7,12-15H,8-11H2,1-4H3,(H,32,35).

What are the key properties of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 547.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 146386238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).