4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)

C29H25N7Pt — CID 156661508

IUPAC4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
SMILESCC(C)(C)c1ccncc1.[Pt+2].c1ccc(-c2cc(-c3nccc(-c4[n-]nc5ccccc45)n3)[n-]n2)cc1
InChIInChI=1S/C20H12N6.C9H13N.Pt/c1-2-6-13(7-3-1)17-12-18(25-24-17)20-21-11-10-16(22-20)19-14-8-4-5-9-15(14)23-26-19;1-9(2,3)8-4-6-10-7-5-8;/h1-12H;4-7H,1-3H3;/q-2;;+2
InChIKeyVJGASDOOBJNREA-UHFFFAOYSA-N
MW666.65 g/mol
LogP5.71
Rot. Bonds3

About 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)

4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+) (PubChem CID 156661508) has the molecular formula C29H25N7Pt and a molecular weight of 666.65 g/mol. Its IUPAC name is 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+).

Molecular Properties

Compound Name4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
PubChem CID156661508
Molecular FormulaC29H25N7Pt
Molecular Weight666.65 g/mol
Exact Mass666.18
IUPAC Name4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
SMILESCC(C)(C)c1ccncc1.[Pt+2].c1ccc(-c2cc(-c3nccc(-c4[n-]nc5ccccc45)n3)[n-]n2)cc1
InChIInChI=1S/C20H12N6.C9H13N.Pt/c1-2-6-13(7-3-1)17-12-18(25-24-17)20-21-11-10-16(22-20)19-14-8-4-5-9-15(14)23-26-19;1-9(2,3)8-4-6-10-7-5-8;/h1-12H;4-7H,1-3H3;/q-2;;+2
InChIKeyVJGASDOOBJNREA-UHFFFAOYSA-N
XLogP5.71
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.65
LogP ≤ 55.71
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;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)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666
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
tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))
CID 160548579
2,4-diphenylpyrimidine;triphenylene
CID 175536318
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
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))
CID 159922216
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
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
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)?
The IUPAC name of 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+) (CID 156661508) is 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+).
What is the SMILES notation for 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)?
The canonical SMILES for 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+) is CC(C)(C)c1ccncc1.[Pt+2].c1ccc(-c2cc(-c3nccc(-c4[n-]nc5ccccc45)n3)[n-]n2)cc1.
What is the InChIKey of 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)?
The InChIKey is VJGASDOOBJNREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6.C9H13N.Pt/c1-2-6-13(7-3-1)17-12-18(25-24-17)20-21-11-10-16(22-20)19-14-8-4-5-9-15(14)23-26-19;1-9(2,3)8-4-6-10-7-5-8;/h1-12H;4-7H,1-3H3;/q-2;;+2.
What are the key properties of 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)?
4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+) has a molecular weight of 666.65 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+) is sourced from PubChem (CID 156661508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).