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

C20H22ClFN4 — CID 90469554

IUPAC3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ncccc4Cl)CC3)c2c1
InChIInChI=1S/C20H22ClFN4/c21-18-4-1-7-23-20(18)26-11-9-25(10-12-26)8-2-3-15-14-24-19-6-5-16(22)13-17(15)19/h1,4-7,13-14,24H,2-3,8-12H2
InChIKeyAVLKURYNZXQTNM-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.11
Rot. Bonds5

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

3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole (PubChem CID 90469554) has the molecular formula C20H22ClFN4 and a molecular weight of 372.88 g/mol. Its IUPAC name is 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
PubChem CID90469554
Molecular FormulaC20H22ClFN4
Molecular Weight372.88 g/mol
Exact Mass372.15
IUPAC Name3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ncccc4Cl)CC3)c2c1
InChIInChI=1S/C20H22ClFN4/c21-18-4-1-7-23-20(18)26-11-9-25(10-12-26)8-2-3-15-14-24-19-6-5-16(22)13-17(15)19/h1,4-7,13-14,24H,2-3,8-12H2
InChIKeyAVLKURYNZXQTNM-UHFFFAOYSA-N
XLogP4.11
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399451
5-fluoro-3-[3-[4-(2-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;dihydrochloride
CID 22372071
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
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
3-[4-[4-[4-[(3-chloro-2-pyridinyl)oxy]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118499187
5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399447
3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
CID 90468568
3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 155776090
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The IUPAC name of 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole (CID 90469554) is 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(CCCN3CCN(c4ncccc4Cl)CC3)c2c1.
What is the InChIKey of 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
The InChIKey is AVLKURYNZXQTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4/c21-18-4-1-7-23-20(18)26-11-9-25(10-12-26)8-2-3-15-14-24-19-6-5-16(22)13-17(15)19/h1,4-7,13-14,24H,2-3,8-12H2.
What are the key properties of 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole?
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole has a molecular weight of 372.88 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole is sourced from PubChem (CID 90469554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).