1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine

C43H38Cl2F4N8 — CID 91272269

About 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine

1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine (PubChem CID 91272269) has the molecular formula C43H38Cl2F4N8 and a molecular weight of 813.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine.

Molecular Properties

• Compound Name: 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine
• PubChem CID: 91272269
• Molecular Formula: C43H38Cl2F4N8
• Molecular Weight: 813.73 g/mol
• Exact Mass: 812.25
• IUPAC Name: 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine
• SMILES: Cc1c(N(C2CCN(c3ncccn3)CC2)N(c2ccc(-c3ccc(F)cc3F)c(Cl)c2)C2CCN(c3ncccn3)CC2)ccc(-c2ccc(F)cc2F)c1Cl
• InChI: InChI=1S/C43H38Cl2F4N8/c1-27-40(11-10-36(41(27)45)35-8-5-29(47)25-39(35)49)57(31-14-22-55(23-15-31)43-52-18-3-19-53-43)56(30-12-20-54(21-13-30)42-50-16-2-17-51-42)32-6-9-33(37(44)26-32)34-7-4-28(46)24-38(34)48/h2-11,16-19,24-26,30-31H,12-15,20-23H2,1H3
• InChIKey: VUCWFVVJQQULPY-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.73
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine?

The IUPAC name of 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine (CID 91272269) is 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine.

What is the SMILES notation for 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine?

The canonical SMILES for 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine is Cc1c(N(C2CCN(c3ncccn3)CC2)N(c2ccc(-c3ccc(F)cc3F)c(Cl)c2)C2CCN(c3ncccn3)CC2)ccc(-c2ccc(F)cc2F)c1Cl.

What is the InChIKey of 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine?

The InChIKey is VUCWFVVJQQULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38Cl2F4N8/c1-27-40(11-10-36(41(27)45)35-8-5-29(47)25-39(35)49)57(31-14-22-55(23-15-31)43-52-18-3-19-53-43)56(30-12-20-54(21-13-30)42-50-16-2-17-51-42)32-6-9-33(37(44)26-32)34-7-4-28(46)24-38(34)48/h2-11,16-19,24-26,30-31H,12-15,20-23H2,1H3.

What are the key properties of 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine?

1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine has a molecular weight of 813.73 g/mol, XLogP of 10.34, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine is sourced from PubChem (CID 91272269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).