1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine

C46H57FN8O6 — CID 91298229

About 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine

1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine (PubChem CID 91298229) has the molecular formula C46H57FN8O6 and a molecular weight of 837.01 g/mol. Its IUPAC name is 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine.

Molecular Properties

• Compound Name: 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine
• PubChem CID: 91298229
• Molecular Formula: C46H57FN8O6
• Molecular Weight: 837.01 g/mol
• Exact Mass: 836.44
• IUPAC Name: 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine
• SMILES: CCOc1cc(CN2CCC(N(c3nc4ccncc4o3)N(c3nc4ccncc4o3)C3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)CC2)cc(OCC)c1F
• InChI: InChI=1S/C46H57FN8O6/c1-7-56-40-23-33(24-41(44(40)47)57-8-2)29-53-19-13-35(14-20-53)55(46-51-39-10-16-49-27-43(39)61-46)54(45-50-38-9-15-48-26-42(38)60-45)34-11-17-52(18-12-34)28-32-21-36(58-30(3)4)25-37(22-32)59-31(5)6/h9-10,15-16,21-27,30-31,34-35H,7-8,11-14,17-20,28-29H2,1-6H3
• InChIKey: YJXVLURLFZOERP-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 127.72 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.01
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine?

The IUPAC name of 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine (CID 91298229) is 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine.

What is the SMILES notation for 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine?

The canonical SMILES for 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(c3nc4ccncc4o3)N(c3nc4ccncc4o3)C3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)CC2)cc(OCC)c1F.

What is the InChIKey of 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine?

The InChIKey is YJXVLURLFZOERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H57FN8O6/c1-7-56-40-23-33(24-41(44(40)47)57-8-2)29-53-19-13-35(14-20-53)55(46-51-39-10-16-49-27-43(39)61-46)54(45-50-38-9-15-48-26-42(38)60-45)34-11-17-52(18-12-34)28-32-21-36(58-30(3)4)25-37(22-32)59-31(5)6/h9-10,15-16,21-27,30-31,34-35H,7-8,11-14,17-20,28-29H2,1-6H3.

What are the key properties of 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine?

1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine has a molecular weight of 837.01 g/mol, XLogP of 8.83, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)hydrazine is sourced from PubChem (CID 91298229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).