5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole

C27H26F4N4 — CID 141399447

IUPAC5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5cc(C(F)(F)F)ccn5)cc4)CC3)c2c1
InChIInChI=1S/C27H26F4N4/c28-22-5-8-25-24(17-22)20(18-33-25)2-1-11-34-12-14-35(15-13-34)23-6-3-19(4-7-23)26-16-21(9-10-32-26)27(29,30)31/h3-10,16-18,33H,1-2,11-15H2
InChIKeyXZNKEGLFCTZYDT-UHFFFAOYSA-N
MW482.53 g/mol
LogP6.14
Rot. Bonds6

About 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole

5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 141399447) has the molecular formula C27H26F4N4 and a molecular weight of 482.53 g/mol. Its IUPAC name is 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID141399447
Molecular FormulaC27H26F4N4
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5cc(C(F)(F)F)ccn5)cc4)CC3)c2c1
InChIInChI=1S/C27H26F4N4/c28-22-5-8-25-24(17-22)20(18-33-25)2-1-11-34-12-14-35(15-13-34)23-6-3-19(4-7-23)26-16-21(9-10-32-26)27(29,30)31/h3-10,16-18,33H,1-2,11-15H2
InChIKeyXZNKEGLFCTZYDT-UHFFFAOYSA-N
XLogP6.14
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole 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

5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399451
2-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]sulfanylpyrimidine-4-carbonitrile
CID 118499435
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
3-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxamide
CID 57302731
5-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methylfuro[3,2-c]pyridin-4-one
CID 118190844
3-(4-chlorobutyl)-5-fluoro-1H-indole;3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole
CID 67856502
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
CID 22372071

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole (CID 141399447) is 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole is Fc1ccc2[nH]cc(CCCN3CCN(c4ccc(-c5cc(C(F)(F)F)ccn5)cc4)CC3)c2c1.
What is the InChIKey of 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is XZNKEGLFCTZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N4/c28-22-5-8-25-24(17-22)20(18-33-25)2-1-11-34-12-14-35(15-13-34)23-6-3-19(4-7-23)26-16-21(9-10-32-26)27(29,30)31/h3-10,16-18,33H,1-2,11-15H2.
What are the key properties of 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole?
5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 482.53 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 141399447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).