4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one

C44H47F2N11O6 — CID 141224363

About 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one

4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one (PubChem CID 141224363) has the molecular formula C44H47F2N11O6 and a molecular weight of 863.93 g/mol. Its IUPAC name is 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one
• PubChem CID: 141224363
• Molecular Formula: C44H47F2N11O6
• Molecular Weight: 863.93 g/mol
• Exact Mass: 863.37
• IUPAC Name: 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one
• SMILES: CC(C)N1C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@H]5OC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C(c2ccn(On3cccn3)n2)C1(O)C1CC1
• InChI: InChI=1S/C44H47F2N11O6/c1-30(2)57-42(58)56(41(44(57,59)31-4-5-31)39-16-19-55(50-39)63-54-18-3-17-48-54)35-9-7-33(8-10-35)51-20-22-52(23-21-51)34-11-13-36(14-12-34)60-25-40-61-27-43(62-40,26-53-29-47-28-49-53)37-15-6-32(45)24-38(37)46/h3,6-19,24,28-31,40-41,59H,4-5,20-23,25-27H2,1-2H3/t40-,41?,43+,44?/m0/s1
• InChIKey: PHWFKYYUGJFOFU-NSXOZWQESA-N
• XLogP: 5.01
• TPSA: 153.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.93
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one?

The IUPAC name of 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one (CID 141224363) is 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one.

What is the SMILES notation for 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one?

The canonical SMILES for 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one is CC(C)N1C(=O)N(c2ccc(N3CCN(c4ccc(OC[C@H]5OC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C(c2ccn(On3cccn3)n2)C1(O)C1CC1.

What is the InChIKey of 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one?

The InChIKey is PHWFKYYUGJFOFU-NSXOZWQESA-N. The full InChI is InChI=1S/C44H47F2N11O6/c1-30(2)57-42(58)56(41(44(57,59)31-4-5-31)39-16-19-55(50-39)63-54-18-3-17-48-54)35-9-7-33(8-10-35)51-20-22-52(23-21-51)34-11-13-36(14-12-34)60-25-40-61-27-43(62-40,26-53-29-47-28-49-53)37-15-6-32(45)24-38(37)46/h3,6-19,24,28-31,40-41,59H,4-5,20-23,25-27H2,1-2H3/t40-,41?,43+,44?/m0/s1.

What are the key properties of 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one?

4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one has a molecular weight of 863.93 g/mol, XLogP of 5.01, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-hydroxy-3-propan-2-yl-5-(1-pyrazol-1-yloxypyrazol-3-yl)imidazolidin-2-one is sourced from PubChem (CID 141224363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).