4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile

C257H290FN55O24 — CID 160928343

About 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile

4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile (PubChem CID 160928343) has the molecular formula C257H290FN55O24 and a molecular weight of 4552.51 g/mol. Its IUPAC name is 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile
• PubChem CID: 160928343
• Molecular Formula: C257H290FN55O24
• Molecular Weight: 4552.51 g/mol
• Exact Mass: 4549.31
• IUPAC Name: 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile
• SMILES: CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cc6ccccc6)(c6ccccc6)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6nccn6)(c6ccccc6)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6nccn6)(c6ccccc6)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6nccn6)(c6ccccc6)C5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6nccn6)(c6ccccc6)C5)cc4C#N)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6nccn6)(c6ccccc6)C5)cc4F)CC3)cc2)c1=O.N#Cc1cc(OC[C@H]2CO[C@](Cn3nccn3)(c3ccccc3)C2)ccc1N1CCN(c2ccc(-n3cnn(CC4CCCC4)c3=O)cc2)CC1
• InChI: InChI=1S/C39H43N9O3.C39H43N5O4.C37H41N9O3.C36H41FN8O3.C36H42N8O3.2C35H40N8O4/c40-24-32-22-36(50-26-31-23-39(51-27-31,28-48-41-16-17-42-48)33-8-2-1-3-9-33)14-15-37(32)45-20-18-44(19-21-45)34-10-12-35(13-11-34)46-29-43-47(38(46)49)25-30-6-4-5-7-30;1-3-30(2)44-38(45)43(29-40-44)35-16-14-33(15-17-35)41-22-24-42(25-23-41)34-18-20-36(21-19-34)46-27-37-28-47-39(48-37,32-12-8-5-9-13-32)26-31-10-6-4-7-11-31;1-3-28(2)46-36(47)44(27-41-46)33-11-9-32(10-12-33)42-17-19-43(20-18-42)35-14-13-34(21-30(35)23-38)48-24-29-22-37(49-25-29,26-45-39-15-16-40-45)31-7-5-4-6-8-31;1-3-27(2)45-35(46)43(26-40-45)31-11-9-30(10-12-31)41-17-19-42(20-18-41)34-14-13-32(21-33(34)37)47-23-28-22-36(48-24-28,25-44-38-15-16-39-44)29-7-5-4-6-8-29;1-3-28(2)44-35(45)42(27-39-44)33-11-9-31(10-12-33)40-19-21-41(22-20-40)32-13-15-34(16-14-32)46-24-29-23-36(47-25-29,26-43-37-17-18-38-43)30-7-5-4-6-8-30;2*1-3-27(2)43-34(44)41(26-38-43)31-11-9-29(10-12-31)39-19-21-40(22-20-39)30-13-15-32(16-14-30)45-23-33-24-46-35(47-33,25-42-36-17-18-37-42)28-7-5-4-6-8-28/h1-3,8-17,22,29-31H,4-7,18-21,23,25-28H2;4-21,29-30,37H,3,22-28H2,1-2H3;4-16,21,27-29H,3,17-20,22,24-26H2,1-2H3;4-16,21,26-28H,3,17-20,22-25H2,1-2H3;4-18,27-29H,3,19-26H2,1-2H3;2*4-18,26-27,33H,3,19-25H2,1-2H3/t31-,39+;30?,37-,39-;28?,29-,37+;27?,28-,36+;28?,29-,36+;2*27?,33-,35+/m0100011/s1
• InChIKey: SSXWKEWOKFTFDA-MRWZRZFUSA-N
• XLogP: 34.60
• TPSA: 712.85 Ų
• H-Bond Acceptors: 79
• Rotatable Bonds: 77
• Heavy Atoms: 337
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4552.51
LogP ≤ 5	34.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	79

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile?

The IUPAC name of 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile (CID 160928343) is 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile.

What is the SMILES notation for 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile?

The canonical SMILES for 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile is CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cc6ccccc6)(c6ccccc6)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6nccn6)(c6ccccc6)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6nccn6)(c6ccccc6)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6nccn6)(c6ccccc6)C5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6nccn6)(c6ccccc6)C5)cc4C#N)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6nccn6)(c6ccccc6)C5)cc4F)CC3)cc2)c1=O.N#Cc1cc(OC[C@H]2CO[C@](Cn3nccn3)(c3ccccc3)C2)ccc1N1CCN(c2ccc(-n3cnn(CC4CCCC4)c3=O)cc2)CC1.

What is the InChIKey of 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile?

The InChIKey is SSXWKEWOKFTFDA-MRWZRZFUSA-N. The full InChI is InChI=1S/C39H43N9O3.C39H43N5O4.C37H41N9O3.C36H41FN8O3.C36H42N8O3.2C35H40N8O4/c40-24-32-22-36(50-26-31-23-39(51-27-31,28-48-41-16-17-42-48)33-8-2-1-3-9-33)14-15-37(32)45-20-18-44(19-21-45)34-10-12-35(13-11-34)46-29-43-47(38(46)49)25-30-6-4-5-7-30;1-3-30(2)44-38(45)43(29-40-44)35-16-14-33(15-17-35)41-22-24-42(25-23-41)34-18-20-36(21-19-34)46-27-37-28-47-39(48-37,32-12-8-5-9-13-32)26-31-10-6-4-7-11-31;1-3-28(2)46-36(47)44(27-41-46)33-11-9-32(10-12-33)42-17-19-43(20-18-42)35-14-13-34(21-30(35)23-38)48-24-29-22-37(49-25-29,26-45-39-15-16-40-45)31-7-5-4-6-8-31;1-3-27(2)45-35(46)43(26-40-45)31-11-9-30(10-12-31)41-17-19-42(20-18-41)34-14-13-32(21-33(34)37)47-23-28-22-36(48-24-28,25-44-38-15-16-39-44)29-7-5-4-6-8-29;1-3-28(2)44-35(45)42(27-39-44)33-11-9-31(10-12-33)40-19-21-41(22-20-40)32-13-15-34(16-14-32)46-24-29-23-36(47-25-29,26-43-37-17-18-38-43)30-7-5-4-6-8-30;2*1-3-27(2)43-34(44)41(26-38-43)31-11-9-29(10-12-31)39-19-21-40(22-20-39)30-13-15-32(16-14-30)45-23-33-24-46-35(47-33,25-42-36-17-18-37-42)28-7-5-4-6-8-28/h1-3,8-17,22,29-31H,4-7,18-21,23,25-28H2;4-21,29-30,37H,3,22-28H2,1-2H3;4-16,21,27-29H,3,17-20,22,24-26H2,1-2H3;4-16,21,26-28H,3,17-20,22-25H2,1-2H3;4-18,27-29H,3,19-26H2,1-2H3;2*4-18,26-27,33H,3,19-25H2,1-2H3/t31-,39+;30?,37-,39-;28?,29-,37+;27?,28-,36+;28?,29-,36+;2*27?,33-,35+/m0100011/s1.

What are the key properties of 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile?

4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile has a molecular weight of 4552.51 g/mol, XLogP of 34.60, 77 rotatable bonds, 0 hydrogen bond donors, and 79 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-[[(2R,4R)-2-benzyl-2-phenyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one;2-butan-2-yl-4-[4-[4-[2-fluoro-4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile;bis(2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-phenyl-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one);2-butan-2-yl-4-[4-[4-[4-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-[4-[4-[1-(cyclopentylmethyl)-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]-5-[[(3S,5S)-5-phenyl-5-(triazol-2-ylmethyl)oxolan-3-yl]methoxy]benzonitrile is sourced from PubChem (CID 160928343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).