2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C65H66BrF12N7O7 — CID 87071329

About 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 87071329) has the molecular formula C65H66BrF12N7O7 and a molecular weight of 1365.16 g/mol. Its IUPAC name is 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 87071329
• Molecular Formula: C65H66BrF12N7O7
• Molecular Weight: 1365.16 g/mol
• Exact Mass: 1363.40
• IUPAC Name: 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CBr)C[C@H]1C.C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CN2C(=O)N[C@](C)(c3cc4ccoc4cn3)C2=O)CC1C
• InChI: InChI=1S/C38H37F6N5O5.C27H29BrF6N2O2/c1-5-9-26-16-28(36(37(39,40)41,38(42,43)44)54-22-25-10-7-6-8-11-25)12-13-29(26)47-19-24(3)48(20-23(47)2)32(50)21-49-33(51)35(4,46-34(49)52)31-17-27-14-15-53-30(27)18-45-31;1-4-8-21-13-22(11-12-23(21)35-15-19(3)36(16-18(35)2)24(37)14-28)25(26(29,30)31,27(32,33)34)38-17-20-9-6-5-7-10-20/h5-18,23-24H,19-22H2,1-4H3,(H,46,52);4-13,18-19H,14-17H2,1-3H3/b9-5-;8-4-/t23?,24-,35+;18-,19+/m01/s1
• InChIKey: UZFWTXLIXCIBMX-IQGIFOSTSA-N
• XLogP: 14.37
• TPSA: 141.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.16
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 87071329) is 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CBr)C[C@H]1C.C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CN2C(=O)N[C@](C)(c3cc4ccoc4cn3)C2=O)CC1C.

What is the InChIKey of 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is UZFWTXLIXCIBMX-IQGIFOSTSA-N. The full InChI is InChI=1S/C38H37F6N5O5.C27H29BrF6N2O2/c1-5-9-26-16-28(36(37(39,40)41,38(42,43)44)54-22-25-10-7-6-8-11-25)12-13-29(26)47-19-24(3)48(20-23(47)2)32(50)21-49-33(51)35(4,46-34(49)52)31-17-27-14-15-53-30(27)18-45-31;1-4-8-21-13-22(11-12-23(21)35-15-19(3)36(16-18(35)2)24(37)14-28)25(26(29,30)31,27(32,33)34)38-17-20-9-6-5-7-10-20/h5-18,23-24H,19-22H2,1-4H3,(H,46,52);4-13,18-19H,14-17H2,1-3H3/b9-5-;8-4-/t23?,24-,35+;18-,19+/m01/s1.

What are the key properties of 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 1365.16 g/mol, XLogP of 14.37, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[(2S,5R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]ethanone;(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 87071329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).