2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine

C48H62F2N2O — CID 140976266

IUPAC2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CCOCCc4ccc(-c5ccc(C6CCC(CCCCC)CC6)cn5)cc4F)c(F)c3)nc2)CC1
InChIInChI=1S/C48H62F2N2O/c1-3-5-7-9-35-11-15-37(16-12-35)43-23-25-47(51-33-43)41-21-19-39(45(49)31-41)27-29-53-30-28-40-20-22-42(32-46(40)50)48-26-24-44(34-52-48)38-17-13-36(14-18-38)10-8-6-4-2/h19-26,31-38H,3-18,27-30H2,1-2H3
InChIKeyRSCVAOWNLHZSQQ-UHFFFAOYSA-N
MW721.03 g/mol
LogP13.60
Rot. Bonds18

About 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine

2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine (PubChem CID 140976266) has the molecular formula C48H62F2N2O and a molecular weight of 721.03 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine
PubChem CID140976266
Molecular FormulaC48H62F2N2O
Molecular Weight721.03 g/mol
Exact Mass720.48
IUPAC Name2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CCOCCc4ccc(-c5ccc(C6CCC(CCCCC)CC6)cn5)cc4F)c(F)c3)nc2)CC1
InChIInChI=1S/C48H62F2N2O/c1-3-5-7-9-35-11-15-37(16-12-35)43-23-25-47(51-33-43)41-21-19-39(45(49)31-41)27-29-53-30-28-40-20-22-42(32-46(40)50)48-26-24-44(34-52-48)38-17-13-36(14-18-38)10-8-6-4-2/h19-26,31-38H,3-18,27-30H2,1-2H3
InChIKeyRSCVAOWNLHZSQQ-UHFFFAOYSA-N
XLogP13.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.03
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluoro-6-(tetrahydro-2H-pyran-4-yl)phenyl)pyridine
CID 170633578
chromium;bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116951
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);manganese;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116952
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116953
cobalt;bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116954
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);nickel;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116955
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;zinc
CID 139116956
2-[(1S,2S)-1,2-bis(4-fluorophenyl)-2-pyridin-2-ylethyl]pyridine
CID 139188402
4-(4-Fluorophenyl)-6-p-tolyl-2,2'-bipyridine
CID 139238578
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine?
The IUPAC name of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine (CID 140976266) is 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine.
What is the SMILES notation for 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine?
The canonical SMILES for 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine is CCCCCC1CCC(c2ccc(-c3ccc(CCOCCc4ccc(-c5ccc(C6CCC(CCCCC)CC6)cn5)cc4F)c(F)c3)nc2)CC1.
What is the InChIKey of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine?
The InChIKey is RSCVAOWNLHZSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H62F2N2O/c1-3-5-7-9-35-11-15-37(16-12-35)43-23-25-47(51-33-43)41-21-19-39(45(49)31-41)27-29-53-30-28-40-20-22-42(32-46(40)50)48-26-24-44(34-52-48)38-17-13-36(14-18-38)10-8-6-4-2/h19-26,31-38H,3-18,27-30H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine?
2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine has a molecular weight of 721.03 g/mol, XLogP of 13.60, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-pentylcyclohexyl)pyridine is sourced from PubChem (CID 140976266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).