3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C27H33FN6O — CID 67594756

IUPAC3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCOCCC(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C27H33FN6O/c1-35-16-11-27(34-14-12-29-13-15-34,22-4-6-23(28)7-5-22)10-2-3-21-18-30-26-9-8-24(17-25(21)26)33-19-31-32-20-33/h4-9,17-20,29-30H,2-3,10-16H2,1H3
InChIKeyIPOXYOJTDPAPPP-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.05
Rot. Bonds10

About 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 67594756) has the molecular formula C27H33FN6O and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID67594756
Molecular FormulaC27H33FN6O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCOCCC(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C27H33FN6O/c1-35-16-11-27(34-14-12-29-13-15-34,22-4-6-23(28)7-5-22)10-2-3-21-18-30-26-9-8-24(17-25(21)26)33-19-31-32-20-33/h4-9,17-20,29-30H,2-3,10-16H2,1H3
InChIKeyIPOXYOJTDPAPPP-UHFFFAOYSA-N
XLogP4.05
TPSA71.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole with MolForge

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Related Compounds

3-[3-[4-[1-(4-fluorophenyl)-2-methoxyethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57037506
3-[3-[4-[(4-fluorophenyl)methyl]-4-methoxypiperidin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 18794724
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
3-[1-(4-fluorophenyl)-1-piperazin-1-yl-5-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]pentan-2-yl]-1,3-oxazolidin-2-one
CID 67720293
1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 23283184
3-[3-[4-fluoro-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10647181
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
3-[3-[4-fluoro-4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 18794720
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-[3-[1-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594740
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
N-(furan-3-ylmethyl)-N-methyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
CID 10645715

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 67594756) is 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole is COCCC(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is IPOXYOJTDPAPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O/c1-35-16-11-27(34-14-12-29-13-15-34,22-4-6-23(28)7-5-22)10-2-3-21-18-30-26-9-8-24(17-25(21)26)33-19-31-32-20-33/h4-9,17-20,29-30H,2-3,10-16H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 476.60 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-6-methoxy-4-piperazin-1-ylhexyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 67594756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).