4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C21H21Cl3N4 — CID 141292342

IUPAC4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1ccc(C2CNCc3cc(C4CCc5ncnn5C4)ccc32)cc1Cl
InChIInChI=1S/C21H20Cl2N4.ClH/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15;/h1-2,4-5,7-8,12,15,18,24H,3,6,9-11H2;1H
InChIKeyBAOFMOLSNITLEE-UHFFFAOYSA-N
MW435.79 g/mol
LogP4.97
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 141292342) has the molecular formula C21H21Cl3N4 and a molecular weight of 435.79 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID141292342
Molecular FormulaC21H21Cl3N4
Molecular Weight435.79 g/mol
Exact Mass434.08
IUPAC Name4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1ccc(C2CNCc3cc(C4CCc5ncnn5C4)ccc32)cc1Cl
InChIInChI=1S/C21H20Cl2N4.ClH/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15;/h1-2,4-5,7-8,12,15,18,24H,3,6,9-11H2;1H
InChIKeyBAOFMOLSNITLEE-UHFFFAOYSA-N
XLogP4.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride with MolForge

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Related Compounds

[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl] trifluoromethanesulfonate
CID 86647718
(4S)-4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982168
4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
CID 15983837
3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]-N,N-diethylpropan-1-amine
CID 15983706
azane;4-(3,4-dichlorophenyl)-6-fluoro-7-(3-methylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrate
CID 173018768
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 155345646
4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;hydrochloride
CID 71114893
1,1-dideuterio-4-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydroisoquinoline;hydrochloride
CID 175817990
4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 68996719
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 141292342) is 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Clc1ccc(C2CNCc3cc(C4CCc5ncnn5C4)ccc32)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is BAOFMOLSNITLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4.ClH/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15;/h1-2,4-5,7-8,12,15,18,24H,3,6,9-11H2;1H.
What are the key properties of 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 435.79 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 141292342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).