1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine

C49H55FN8O2 — CID 91286147

IUPAC1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ncc(-c4ccccc4)cn3)N(c3ncc(-c4ccccc4)cn3)C3CCN(Cc4ccc(F)c(OCC)c4)CC3)CC2)ccc1C
InChIInChI=1S/C49H55FN8O2/c1-4-59-46-28-37(17-16-36(46)3)34-55-24-20-43(21-25-55)57(48-51-30-41(31-52-48)39-12-8-6-9-13-39)58(49-53-32-42(33-54-49)40-14-10-7-11-15-40)44-22-26-56(27-23-44)35-38-18-19-45(50)47(29-38)60-5-2/h6-19,28-33,43-44H,4-5,20-27,34-35H2,1-3H3
InChIKeyHIISZTHZBGSZGP-UHFFFAOYSA-N
MW807.03 g/mol
LogP9.40
Rot. Bonds15

About 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine

1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine (PubChem CID 91286147) has the molecular formula C49H55FN8O2 and a molecular weight of 807.03 g/mol. Its IUPAC name is 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine
PubChem CID91286147
Molecular FormulaC49H55FN8O2
Molecular Weight807.03 g/mol
Exact Mass806.44
IUPAC Name1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ncc(-c4ccccc4)cn3)N(c3ncc(-c4ccccc4)cn3)C3CCN(Cc4ccc(F)c(OCC)c4)CC3)CC2)ccc1C
InChIInChI=1S/C49H55FN8O2/c1-4-59-46-28-37(17-16-36(46)3)34-55-24-20-43(21-25-55)57(48-51-30-41(31-52-48)39-12-8-6-9-13-39)58(49-53-32-42(33-54-49)40-14-10-7-11-15-40)44-22-26-56(27-23-44)35-38-18-19-45(50)47(29-38)60-5-2/h6-19,28-33,43-44H,4-5,20-27,34-35H2,1-3H3
InChIKeyHIISZTHZBGSZGP-UHFFFAOYSA-N
XLogP9.40
TPSA82.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.03
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine?
The IUPAC name of 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine (CID 91286147) is 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine?
The canonical SMILES for 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(c3ncc(-c4ccccc4)cn3)N(c3ncc(-c4ccccc4)cn3)C3CCN(Cc4ccc(F)c(OCC)c4)CC3)CC2)ccc1C.
What is the InChIKey of 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine?
The InChIKey is HIISZTHZBGSZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55FN8O2/c1-4-59-46-28-37(17-16-36(46)3)34-55-24-20-43(21-25-55)57(48-51-30-41(31-52-48)39-12-8-6-9-13-39)58(49-53-32-42(33-54-49)40-14-10-7-11-15-40)44-22-26-56(27-23-44)35-38-18-19-45(50)47(29-38)60-5-2/h6-19,28-33,43-44H,4-5,20-27,34-35H2,1-3H3.
What are the key properties of 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine?
1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine has a molecular weight of 807.03 g/mol, XLogP of 9.40, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-1,2-bis(5-phenylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 91286147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).