5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole

C20H23FN4 — CID 90469348

IUPAC5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ccccn4)CC3)c2c1
InChIInChI=1S/C20H23FN4/c21-17-6-7-19-18(14-17)16(15-23-19)4-3-9-24-10-12-25(13-11-24)20-5-1-2-8-22-20/h1-2,5-8,14-15,23H,3-4,9-13H2
InChIKeyAMBPUJZVOGGUFH-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.46
Rot. Bonds5

About 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole

5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole (PubChem CID 90469348) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
PubChem CID90469348
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ccccn4)CC3)c2c1
InChIInChI=1S/C20H23FN4/c21-17-6-7-19-18(14-17)16(15-23-19)4-3-9-24-10-12-25(13-11-24)20-5-1-2-8-22-20/h1-2,5-8,14-15,23H,3-4,9-13H2
InChIKeyAMBPUJZVOGGUFH-UHFFFAOYSA-N
XLogP3.46
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399451
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
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399447
2-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]sulfanylpyrimidine-4-carbonitrile
CID 118499435
3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
CID 135178455
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10644750
ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
CID 159917122
3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464768

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole (CID 90469348) is 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole is Fc1ccc2[nH]cc(CCCN3CCN(c4ccccn4)CC3)c2c1.
What is the InChIKey of 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole?
The InChIKey is AMBPUJZVOGGUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c21-17-6-7-19-18(14-17)16(15-23-19)4-3-9-24-10-12-25(13-11-24)20-5-1-2-8-22-20/h1-2,5-8,14-15,23H,3-4,9-13H2.
What are the key properties of 5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole?
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole has a molecular weight of 338.43 g/mol, XLogP of 3.46, 5 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-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole is sourced from PubChem (CID 90469348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).