5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)

C31H39N7Pt — CID 156661526

About 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)

5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+) (PubChem CID 156661526) has the molecular formula C31H39N7Pt and a molecular weight of 704.78 g/mol. Its IUPAC name is 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)
• PubChem CID: 156661526
• Molecular Formula: C31H39N7Pt
• Molecular Weight: 704.78 g/mol
• Exact Mass: 704.29
• IUPAC Name: 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(-c2cncc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)n2)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2]
• InChI: InChI=1S/C22H26N6.C9H13N.Pt/c1-20(2,3)16-9-13(25-26-16)14-10-23-11-15(24-14)18-17-12-7-8-22(6,21(12,4)5)19(17)28-27-18;1-9(2,3)8-4-6-10-7-5-8;/h9-12H,7-8H2,1-6H3;4-7H,1-3H3;/q-2;;+2
• InChIKey: BPSYOICRPGQAHG-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 92.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.78
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)?

The IUPAC name of 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+) (CID 156661526) is 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+).

What is the SMILES notation for 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)?

The canonical SMILES for 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+) is CC(C)(C)c1cc(-c2cncc(-c3[n-]nc4c3C3CCC4(C)C3(C)C)n2)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2].

What is the InChIKey of 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)?

The InChIKey is BPSYOICRPGQAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.C9H13N.Pt/c1-20(2,3)16-9-13(25-26-16)14-10-23-11-15(24-14)18-17-12-7-8-22(6,21(12,4)5)19(17)28-27-18;1-9(2,3)8-4-6-10-7-5-8;/h9-12H,7-8H2,1-6H3;4-7H,1-3H3;/q-2;;+2.

What are the key properties of 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+)?

5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+) has a molecular weight of 704.78 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(3-tert-butylpyrazol-1-id-5-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;4-tert-butylpyridine;platinum(2+) is sourced from PubChem (CID 156661526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).