3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C24H27ClN6 — CID 10741528

IUPAC3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESClc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C24H27ClN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
InChIKeyWXSZHNICTMDLAC-UHFFFAOYSA-N
MW434.98 g/mol
LogP4.15
Rot. Bonds7

About 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10741528) has the molecular formula C24H27ClN6 and a molecular weight of 434.98 g/mol. Its IUPAC name is 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10741528
Molecular FormulaC24H27ClN6
Molecular Weight434.98 g/mol
Exact Mass434.20
IUPAC Name3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESClc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C24H27ClN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
InChIKeyWXSZHNICTMDLAC-UHFFFAOYSA-N
XLogP4.15
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.98
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole with MolForge

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Related Compounds

L-775,606
CID 6426760
L-741604
CID 9881526
(3S)-3-(N-benzyl)aminomethyl-1-[2-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)ethyl]pyrrolidine
CID 10386282
3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9844873
3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 10341917
3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 18975369
3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10614907
3-(2-Pyrrolidin-1-yl-ethyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10468938
3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 6426761
3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9952249
4-[(Isobutyl-methyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
CID 10477461
((R)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 10501945

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10741528) is 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is Clc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1.
What is the InChIKey of 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is WXSZHNICTMDLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2.
What are the key properties of 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 434.98 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10741528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).