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

C22H26N6O — CID 67655065

IUPAC3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1cc(CN2CCNCC2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)co1
InChIInChI=1S/C22H26N6O/c1(3-20-12-23-7-8-27(20)13-17-6-9-29-14-17)2-18-11-24-22-5-4-19(10-21(18)22)28-15-25-26-16-28/h4-6,9-11,14-16,20,23-24H,1-3,7-8,12-13H2
InChIKeyJZAGSZHQSCOPKM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.14
Rot. Bonds7

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

3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 67655065) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID67655065
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1cc(CN2CCNCC2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)co1
InChIInChI=1S/C22H26N6O/c1(3-20-12-23-7-8-27(20)13-17-6-9-29-14-17)2-18-11-24-22-5-4-19(10-21(18)22)28-15-25-26-16-28/h4-6,9-11,14-16,20,23-24H,1-3,7-8,12-13H2
InChIKeyJZAGSZHQSCOPKM-UHFFFAOYSA-N
XLogP3.14
TPSA74.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
CID 67593643
3-phenyl-3-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]propan-1-ol
CID 67594131
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
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
3-[3-(4-benzyl-3-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67690579
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
3-[3-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 54217225
N-benzyl-1-[1-methyl-4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-2-yl]methanamine
CID 22100287

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 67655065) is 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is c1cc(CN2CCNCC2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)co1.
What is the InChIKey of 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is JZAGSZHQSCOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1(3-20-12-23-7-8-27(20)13-17-6-9-29-14-17)2-18-11-24-22-5-4-19(10-21(18)22)28-15-25-26-16-28/h4-6,9-11,14-16,20,23-24H,1-3,7-8,12-13H2.
What are the key properties of 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 390.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 67655065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).