ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate

C26H33FN6O4 — CID 164945368

About ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate

ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 164945368) has the molecular formula C26H33FN6O4 and a molecular weight of 512.59 g/mol. Its IUPAC name is ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
• PubChem CID: 164945368
• Molecular Formula: C26H33FN6O4
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.25
• IUPAC Name: ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1nc2c(NCC3(F)CCN(C(=O)OC(C)(C)C)CC3)nc(-c3ccncc3)cn2c1C
• InChI: InChI=1S/C26H33FN6O4/c1-6-36-23(34)20-17(2)33-15-19(18-7-11-28-12-8-18)30-21(22(33)31-20)29-16-26(27)9-13-32(14-10-26)24(35)37-25(3,4)5/h7-8,11-12,15H,6,9-10,13-14,16H2,1-5H3,(H,29,30)
• InChIKey: ZULOZZSKTACFEQ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 110.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?

The IUPAC name of ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (CID 164945368) is ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.

What is the SMILES notation for ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?

The canonical SMILES for ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1nc2c(NCC3(F)CCN(C(=O)OC(C)(C)C)CC3)nc(-c3ccncc3)cn2c1C.

What is the InChIKey of ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?

The InChIKey is ZULOZZSKTACFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O4/c1-6-36-23(34)20-17(2)33-15-19(18-7-11-28-12-8-18)30-21(22(33)31-20)29-16-26(27)9-13-32(14-10-26)24(35)37-25(3,4)5/h7-8,11-12,15H,6,9-10,13-14,16H2,1-5H3,(H,29,30).

What are the key properties of ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?

ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 512.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 164945368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).