7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole

C20H23FN4O — CID 169091641

IUPAC7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole
SMILESFc1ccc(OCCCN2CCN(c3cccc4cc[nH]c34)CC2)cn1
InChIInChI=1S/C20H23FN4O/c21-19-6-5-17(15-23-19)26-14-2-9-24-10-12-25(13-11-24)18-4-1-3-16-7-8-22-20(16)18/h1,3-8,15,22H,2,9-14H2
InChIKeySPQSXSFULDCPMH-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.29
Rot. Bonds6

About 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole

7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole (PubChem CID 169091641) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole
PubChem CID169091641
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole
SMILESFc1ccc(OCCCN2CCN(c3cccc4cc[nH]c34)CC2)cn1
InChIInChI=1S/C20H23FN4O/c21-19-6-5-17(15-23-19)26-14-2-9-24-10-12-25(13-11-24)18-4-1-3-16-7-8-22-20(16)18/h1,3-8,15,22H,2,9-14H2
InChIKeySPQSXSFULDCPMH-UHFFFAOYSA-N
XLogP3.29
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655
6-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164306
7-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 11564877
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
1-(azepan-1-yl)-4-[4-(1H-indol-7-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 23202041
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503
N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 91937741
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]isoquinoline
CID 155803097
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
5-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1,3-benzothiazole
CID 56599143
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole (CID 169091641) is 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole is Fc1ccc(OCCCN2CCN(c3cccc4cc[nH]c34)CC2)cn1.
What is the InChIKey of 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole?
The InChIKey is SPQSXSFULDCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-19-6-5-17(15-23-19)26-14-2-9-24-10-12-25(13-11-24)18-4-1-3-16-7-8-22-20(16)18/h1,3-8,15,22H,2,9-14H2.
What are the key properties of 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole?
7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole has a molecular weight of 354.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 169091641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).