1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate

C23H31F6N5O4 — CID 142538474

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate (PubChem CID 142538474) has the molecular formula C23H31F6N5O4 and a molecular weight of 555.52 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate
• PubChem CID: 142538474
• Molecular Formula: C23H31F6N5O4
• Molecular Weight: 555.52 g/mol
• Exact Mass: 555.23
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate
• SMILES: CCC(C)(C)C(=O)N1CCn2cc(C(=O)NC3(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)nc2C1
• InChI: InChI=1S/C23H31F6N5O4/c1-5-20(2,3)18(36)34-11-10-33-12-14(30-15(33)13-34)16(35)31-21(4)6-8-32(9-7-21)19(37)38-17(22(24,25)26)23(27,28)29/h12,17H,5-11,13H2,1-4H3,(H,31,35)
• InChIKey: CCVKZQYTEIEFJD-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate (CID 142538474) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate is CCC(C)(C)C(=O)N1CCn2cc(C(=O)NC3(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)nc2C1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

The InChIKey is CCVKZQYTEIEFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F6N5O4/c1-5-20(2,3)18(36)34-11-10-33-12-14(30-15(33)13-34)16(35)31-21(4)6-8-32(9-7-21)19(37)38-17(22(24,25)26)23(27,28)29/h12,17H,5-11,13H2,1-4H3,(H,31,35).

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate has a molecular weight of 555.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[7-(2,2-dimethylbutanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 142538474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).