chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide

C18H14ClN3Pt — CID 143194476

IUPACchloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide
SMILESC1=NC(c2[n-]c(-c3ccccn3)c3ccccc23)=CCC1.Cl[Pt+]
InChIInChI=1S/C18H14N3.ClH.Pt/c1-2-8-14-13(7-1)17(15-9-3-5-11-19-15)21-18(14)16-10-4-6-12-20-16;;/h1-3,5,7-12H,4,6H2;1H;/q-1;;+2/p-1
InChIKeyCLZAUKWFMGYSME-UHFFFAOYSA-M
MW502.86 g/mol
LogP4.75
Rot. Bonds2

About chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide

chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide (PubChem CID 143194476) has the molecular formula C18H14ClN3Pt and a molecular weight of 502.86 g/mol. Its IUPAC name is chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide.

Molecular Properties

Compound Namechloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide
PubChem CID143194476
Molecular FormulaC18H14ClN3Pt
Molecular Weight502.86 g/mol
Exact Mass502.05
IUPAC Namechloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide
SMILESC1=NC(c2[n-]c(-c3ccccn3)c3ccccc23)=CCC1.Cl[Pt+]
InChIInChI=1S/C18H14N3.ClH.Pt/c1-2-8-14-13(7-1)17(15-9-3-5-11-19-15)21-18(14)16-10-4-6-12-20-16;;/h1-3,5,7-12H,4,6H2;1H;/q-1;;+2/p-1
InChIKeyCLZAUKWFMGYSME-UHFFFAOYSA-M
XLogP4.75
TPSA39.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.86
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide 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-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine
CID 142466565
2-(3,4-dihydropyridin-6-yl)-4-methylsulfanyl-6-pyridin-2-ylpyridine;ethane
CID 142466566
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide?
The IUPAC name of chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide (CID 143194476) is chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide.
What is the SMILES notation for chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide?
The canonical SMILES for chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide is C1=NC(c2[n-]c(-c3ccccn3)c3ccccc23)=CCC1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide?
The InChIKey is CLZAUKWFMGYSME-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N3.ClH.Pt/c1-2-8-14-13(7-1)17(15-9-3-5-11-19-15)21-18(14)16-10-4-6-12-20-16;;/h1-3,5,7-12H,4,6H2;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide?
chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide has a molecular weight of 502.86 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);1-(3,4-dihydropyridin-6-yl)-3-pyridin-2-ylisoindol-2-ide is sourced from PubChem (CID 143194476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).