5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide

C26H25N5OPt — CID 140768708

IUPAC5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide
SMILESCC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[NH-]C(=O)c1ccccn1.[Pt+2]
InChIInChI=1S/C20H20N3.C6H6N2O.Pt/c1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;7-6(9)5-3-1-2-4-8-5;/h4-7,9,11,14H,8,10H2,1-3H3;1-4H,(H2,7,9);/q-1;;+2/p-1
InChIKeyWPXANRXKAVHCGO-UHFFFAOYSA-M
MW618.60 g/mol
LogP5.70
Rot. Bonds2

About 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide

5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide (PubChem CID 140768708) has the molecular formula C26H25N5OPt and a molecular weight of 618.60 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide.

Molecular Properties

Compound Name5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide
PubChem CID140768708
Molecular FormulaC26H25N5OPt
Molecular Weight618.60 g/mol
Exact Mass618.17
IUPAC Name5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide
SMILESCC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[NH-]C(=O)c1ccccn1.[Pt+2]
InChIInChI=1S/C20H20N3.C6H6N2O.Pt/c1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;7-6(9)5-3-1-2-4-8-5;/h4-7,9,11,14H,8,10H2,1-3H3;1-4H,(H2,7,9);/q-1;;+2/p-1
InChIKeyWPXANRXKAVHCGO-UHFFFAOYSA-M
XLogP5.70
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.60
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide with MolForge

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Related Compounds

5-(4-methylphenyl)-N-[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
CID 132578438
5-(4-methylphenyl)-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxamide
CID 155516555
Dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;bis(methyl(diphenyl)phosphanium);hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(osmium(2+));osmium(4+);platinum(2+);pyridine-2-carbonylazanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium)
CID 160539980
bis((1R,7S)-5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+)
CID 139141768
Bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+)
CID 23599658
Bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+)
CID 23599659
5-Isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum;pyridine-2-carboxylic acid
CID 57772373
5-Isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum;pyridine-2-carboxylic acid
CID 57772375
5-Isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-3-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140635948
5-Isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140635955
5-Isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140752743
Platinum(2+);5-propan-2-yl-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)isoquinoline;1,10,10-trimethyl-5-(5-propan-2-ylisoquinolin-3-yl)-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
CID 140813998

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide?
The IUPAC name of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide (CID 140768708) is 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide.
What is the SMILES notation for 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide?
The canonical SMILES for 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide is CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[NH-]C(=O)c1ccccn1.[Pt+2].
What is the InChIKey of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide?
The InChIKey is WPXANRXKAVHCGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N3.C6H6N2O.Pt/c1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;7-6(9)5-3-1-2-4-8-5;/h4-7,9,11,14H,8,10H2,1-3H3;1-4H,(H2,7,9);/q-1;;+2/p-1.
What are the key properties of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide?
5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide has a molecular weight of 618.60 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);pyridine-2-carbonylazanide is sourced from PubChem (CID 140768708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).