[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone

C24H28N6O2 — CID 166216496

IUPAC[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(Cc2cccnc2)nn1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C24H28N6O2/c31-24(23-18-30(27-26-23)17-19-3-2-8-25-16-19)29-11-9-28(10-12-29)13-14-32-22-7-6-20-4-1-5-21(20)15-22/h2-3,6-8,15-16,18H,1,4-5,9-14,17H2
InChIKeyTWOSHMHCMPJLGQ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.05
Rot. Bonds7

About [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone

[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone (PubChem CID 166216496) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone
PubChem CID166216496
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(Cc2cccnc2)nn1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C24H28N6O2/c31-24(23-18-30(27-26-23)17-19-3-2-8-25-16-19)29-11-9-28(10-12-29)13-14-32-22-7-6-20-4-1-5-21(20)15-22/h2-3,6-8,15-16,18H,1,4-5,9-14,17H2
InChIKeyTWOSHMHCMPJLGQ-UHFFFAOYSA-N
XLogP2.05
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 75463564
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 17421094
[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 45215826
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70707188
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
1-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-2-[1-(hydroxymethyl)cyclobutyl]ethanone
CID 167783785
3-(3-bromophenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134045003
[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19486517
[1-(2-piperidin-1-ylethyl)triazol-4-yl]-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 42098815
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone (CID 166216496) is [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone is O=C(c1cn(Cc2cccnc2)nn1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone?
The InChIKey is TWOSHMHCMPJLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-24(23-18-30(27-26-23)17-19-3-2-8-25-16-19)29-11-9-28(10-12-29)13-14-32-22-7-6-20-4-1-5-21(20)15-22/h2-3,6-8,15-16,18H,1,4-5,9-14,17H2.
What are the key properties of [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone?
[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone has a molecular weight of 432.53 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 166216496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).