2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one

C61H64F2N8O3S2 — CID 174536191

IUPAC2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one
SMILESO=C(C(CN1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1)c1ccc(F)cc1)C(CN1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1)c1ccc(F)cc1
InChIInChI=1S/C61H64F2N8O3S2/c62-45-13-9-39(10-14-45)51(35-68-25-17-43(18-26-68)58-66-55(37-75-58)60(73)70-29-21-41(22-30-70)49-33-64-53-7-3-1-5-47(49)53)57(72)52(40-11-15-46(63)16-12-40)36-69-27-19-44(20-28-69)59-67-56(38-76-59)61(74)71-31-23-42(24-32-71)50-34-65-54-8-4-2-6-48(50)54/h1-16,33-34,37-38,41-44,51-52,64-65H,17-32,35-36H2
InChIKeyOWNUYKBRONYDIJ-UHFFFAOYSA-N
MW1059.37 g/mol
LogP12.08
Rot. Bonds14

About 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one

2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one (PubChem CID 174536191) has the molecular formula C61H64F2N8O3S2 and a molecular weight of 1059.37 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one
PubChem CID174536191
Molecular FormulaC61H64F2N8O3S2
Molecular Weight1059.37 g/mol
Exact Mass1058.45
IUPAC Name2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one
SMILESO=C(C(CN1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1)c1ccc(F)cc1)C(CN1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1)c1ccc(F)cc1
InChIInChI=1S/C61H64F2N8O3S2/c62-45-13-9-39(10-14-45)51(35-68-25-17-43(18-26-68)58-66-55(37-75-58)60(73)70-29-21-41(22-30-70)49-33-64-53-7-3-1-5-47(49)53)57(72)52(40-11-15-46(63)16-12-40)36-69-27-19-44(20-28-69)59-67-56(38-76-59)61(74)71-31-23-42(24-32-71)50-34-65-54-8-4-2-6-48(50)54/h1-16,33-34,37-38,41-44,51-52,64-65H,17-32,35-36H2
InChIKeyOWNUYKBRONYDIJ-UHFFFAOYSA-N
XLogP12.08
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.37
LogP ≤ 512.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one 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 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one?
The IUPAC name of 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one (CID 174536191) is 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one is O=C(C(CN1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1)c1ccc(F)cc1)C(CN1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one?
The InChIKey is OWNUYKBRONYDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H64F2N8O3S2/c62-45-13-9-39(10-14-45)51(35-68-25-17-43(18-26-68)58-66-55(37-75-58)60(73)70-29-21-41(22-30-70)49-33-64-53-7-3-1-5-47(49)53)57(72)52(40-11-15-46(63)16-12-40)36-69-27-19-44(20-28-69)59-67-56(38-76-59)61(74)71-31-23-42(24-32-71)50-34-65-54-8-4-2-6-48(50)54/h1-16,33-34,37-38,41-44,51-52,64-65H,17-32,35-36H2.
What are the key properties of 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one?
2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one has a molecular weight of 1059.37 g/mol, XLogP of 12.08, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-1,5-bis[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]pentan-3-one is sourced from PubChem (CID 174536191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).