2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)

C29H31N7Pt — CID 169026666

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
SMILESCC(C)(C)c1cc(-c2cncc(-c3cc(-c4ccccc4)n[n-]3)n2)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2]
InChIInChI=1S/C20H18N6.C9H13N.Pt/c1-20(2,3)19-10-16(25-26-19)18-12-21-11-17(22-18)15-9-14(23-24-15)13-7-5-4-6-8-13;1-9(2,3)8-4-6-10-7-5-8;/h4-12H,1-3H3;4-7H,1-3H3;/q-2;;+2
InChIKeyIZUKGDNIKBXIMB-UHFFFAOYSA-N
MW672.69 g/mol
LogP5.86
Rot. Bonds3

About 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)

2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+) (PubChem CID 169026666) has the molecular formula C29H31N7Pt and a molecular weight of 672.69 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+).

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
PubChem CID169026666
Molecular FormulaC29H31N7Pt
Molecular Weight672.69 g/mol
Exact Mass672.23
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
SMILESCC(C)(C)c1cc(-c2cncc(-c3cc(-c4ccccc4)n[n-]3)n2)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2]
InChIInChI=1S/C20H18N6.C9H13N.Pt/c1-20(2,3)19-10-16(25-26-19)18-12-21-11-17(22-18)15-9-14(23-24-15)13-7-5-4-6-8-13;1-9(2,3)8-4-6-10-7-5-8;/h4-12H,1-3H3;4-7H,1-3H3;/q-2;;+2
InChIKeyIZUKGDNIKBXIMB-UHFFFAOYSA-N
XLogP5.86
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.69
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butylpyridine;3-[6-(3-phenylpyrazol-1-id-5-yl)pyrazin-2-yl]indazol-2-ide;platinum(2+)
CID 156661705
4-tert-butylpyridine;2-[3-(2-methylpropyl)-4-propan-2-ylpyrazol-1-id-5-yl]-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;platinum(2+)
CID 156661559
4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
CID 156661508
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
1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)
CID 158649748
4-tert-butylpyridine;7,7-dimethyl-3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]-5,6-dihydro-4H-indazol-2-ide;platinum(2+)
CID 156661596
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
CID 140723069
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;platinum(2+)
CID 140723049
2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
CID 58756122
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)
CID 156661553
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)?
The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+) (CID 169026666) is 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+).
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+) is CC(C)(C)c1cc(-c2cncc(-c3cc(-c4ccccc4)n[n-]3)n2)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2].
What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)?
The InChIKey is IZUKGDNIKBXIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6.C9H13N.Pt/c1-20(2,3)19-10-16(25-26-19)18-12-21-11-17(22-18)15-9-14(23-24-15)13-7-5-4-6-8-13;1-9(2,3)8-4-6-10-7-5-8;/h4-12H,1-3H3;4-7H,1-3H3;/q-2;;+2.
What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)?
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+) has a molecular weight of 672.69 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+) is sourced from PubChem (CID 169026666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).