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

C27H29FN4 — CID 141399451

IUPAC5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
SMILESCc1cccnc1-c1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C27H29FN4/c1-20-4-2-12-29-27(20)21-6-9-24(10-7-21)32-16-14-31(15-17-32)13-3-5-22-19-30-26-11-8-23(28)18-25(22)26/h2,4,6-12,18-19,30H,3,5,13-17H2,1H3
InChIKeyJBSFARIZSLMULO-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.43
Rot. Bonds6

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

5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 141399451) has the molecular formula C27H29FN4 and a molecular weight of 428.56 g/mol. Its IUPAC name is 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID141399451
Molecular FormulaC27H29FN4
Molecular Weight428.56 g/mol
Exact Mass428.24
IUPAC Name5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole
SMILESCc1cccnc1-c1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C27H29FN4/c1-20-4-2-12-29-27(20)21-6-9-24(10-7-21)32-16-14-31(15-17-32)13-3-5-22-19-30-26-11-8-23(28)18-25(22)26/h2,4,6-12,18-19,30H,3,5,13-17H2,1H3
InChIKeyJBSFARIZSLMULO-UHFFFAOYSA-N
XLogP5.43
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.43
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
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399447
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
2-[4-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]sulfanylpyrimidine-4-carbonitrile
CID 118499435
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-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
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-[4-[(3-cyano-2-pyridinyl)sulfanyl]phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 118499056
ethane;3-[4-[4-[5-(4-fluorophenyl)-3-(nitrosomethyl)-2-pyridinyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 145196091

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole (CID 141399451) is 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole is Cc1cccnc1-c1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is JBSFARIZSLMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4/c1-20-4-2-12-29-27(20)21-6-9-24(10-7-21)32-16-14-31(15-17-32)13-3-5-22-19-30-26-11-8-23(28)18-25(22)26/h2,4,6-12,18-19,30H,3,5,13-17H2,1H3.
What are the key properties of 5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole?
5-fluoro-3-[3-[4-[4-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 428.56 g/mol, XLogP of 5.43, 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-(3-methyl-2-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 141399451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).