platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide

C27H27N5OPt — CID 153419237

About platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide

platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide (PubChem CID 153419237) has the molecular formula C27H27N5OPt and a molecular weight of 632.63 g/mol. Its IUPAC name is platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide.

Molecular Properties

• Compound Name: platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide
• PubChem CID: 153419237
• Molecular Formula: C27H27N5OPt
• Molecular Weight: 632.63 g/mol
• Exact Mass: 632.19
• IUPAC Name: platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide
• SMILES: CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Pt+2]
• InChI: InChI=1S/C27H27N5O.Pt/c1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;/h4-10,13-14,20H,11-12,15-16H2,1-3H3;/q-2;+2
• InChIKey: AUDWKBLYHAZDMG-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 76.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.63
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The IUPAC name of platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide (CID 153419237) is platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide.

What is the SMILES notation for platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The canonical SMILES for platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide is CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Pt+2].

What is the InChIKey of platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The InChIKey is AUDWKBLYHAZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O.Pt/c1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;/h4-10,13-14,20H,11-12,15-16H2,1-3H3;/q-2;+2.

What are the key properties of platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide has a molecular weight of 632.63 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide is sourced from PubChem (CID 153419237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).