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

C28H29N5Pt — CID 153419221

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

platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide (PubChem CID 153419221) has the molecular formula C28H29N5Pt and a molecular weight of 630.65 g/mol. Its IUPAC name is platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide.

Molecular Properties

• Compound Name: platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide
• PubChem CID: 153419221
• Molecular Formula: C28H29N5Pt
• Molecular Weight: 630.65 g/mol
• Exact Mass: 630.21
• IUPAC Name: platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide
• SMILES: CC12CCC(c3c1n[n-]c3-c1nc(CC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Pt+2]
• InChI: InChI=1S/C28H29N5.Pt/c1-27(2)22-11-13-28(27,3)26-23(22)25(32-33-26)24-21-10-5-4-8-18(21)16-19(31-24)12-15-29-17-20-9-6-7-14-30-20;/h4-10,14,16,22H,11-13,15,17H2,1-3H3;/q-2;+2
• InChIKey: DXNGLWMJNDUTNJ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 66.87 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.65
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide?

The IUPAC name of platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide (CID 153419221) is platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide.

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

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

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

The InChIKey is DXNGLWMJNDUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5.Pt/c1-27(2)22-11-13-28(27,3)26-23(22)25(32-33-26)24-21-10-5-4-8-18(21)16-19(31-24)12-15-29-17-20-9-6-7-14-30-20;/h4-10,14,16,22H,11-13,15,17H2,1-3H3;/q-2;+2.

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

platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide has a molecular weight of 630.65 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);pyridin-2-ylmethyl-[2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]azanide is sourced from PubChem (CID 153419221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).