bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride

C38H45Cl3N10O2 — CID 160735622

IUPACbis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride
SMILESCl.[2H]C([2H])(CC([2H])([2H])n1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1.[2H]C([2H])(CC([2H])([2H])n1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/2C19H22ClN5O.ClH/c2*20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h2*1-3,5-7,9,15H,4,8,10-14H2;1H/i2*8D2,10D2;
InChIKeyUETSEEXVCKMWSG-HZKRZQLGSA-N
MW788.25 g/mol
LogP5.15
Rot. Bonds10

About bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride

bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride (PubChem CID 160735622) has the molecular formula C38H45Cl3N10O2 and a molecular weight of 788.25 g/mol. Its IUPAC name is bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride.

Molecular Properties

Compound Namebis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride
PubChem CID160735622
Molecular FormulaC38H45Cl3N10O2
Molecular Weight788.25 g/mol
Exact Mass786.33
IUPAC Namebis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride
SMILESCl.[2H]C([2H])(CC([2H])([2H])n1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1.[2H]C([2H])(CC([2H])([2H])n1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/2C19H22ClN5O.ClH/c2*20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h2*1-3,5-7,9,15H,4,8,10-14H2;1H/i2*8D2,10D2;
InChIKeyUETSEEXVCKMWSG-HZKRZQLGSA-N
XLogP5.15
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.25
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride 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

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-dideuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 87655880
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117
2-(3-bromo-1,1,2,2,3,3-hexadeuteriopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;1-(3-chlorophenyl)piperazine;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 157330489
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;methanol
CID 19795514
2-[1,1,2,2,3,3-hexadeuterio-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71315975
2-[3-[4-(3-chlorophenyl)-1-oxidopiperazin-1-ium-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 46783124
2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one iodide
CID 139051943
4-(3-chlorophenyl)-N-[6-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)hexyl]piperazine-1-carboxamide
CID 163409061
2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one nitrate
CID 139052719
1-(3-chlorophenyl)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-2-carboxylic acid;hydrochloride
CID 162312763
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579341
ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 58589343

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride?
The IUPAC name of bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride (CID 160735622) is bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride.
What is the SMILES notation for bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride?
The canonical SMILES for bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride is Cl.[2H]C([2H])(CC([2H])([2H])n1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1.[2H]C([2H])(CC([2H])([2H])n1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride?
The InChIKey is UETSEEXVCKMWSG-HZKRZQLGSA-N. The full InChI is InChI=1S/2C19H22ClN5O.ClH/c2*20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h2*1-3,5-7,9,15H,4,8,10-14H2;1H/i2*8D2,10D2;.
What are the key properties of bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride?
bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride has a molecular weight of 788.25 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,3,3-tetradeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one);hydrochloride is sourced from PubChem (CID 160735622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).