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+)

C31H33N7Pt — CID 156661596

IUPAC4-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+)
SMILESCC(C)(C)c1ccncc1.CC1(C)CCCc2c1n[n-]c2-c1ccnc(-c2cc(-c3ccccc3)n[n-]2)n1.[Pt+2]
InChIInChI=1S/C22H20N6.C9H13N.Pt/c1-22(2)11-6-9-15-19(27-28-20(15)22)16-10-12-23-21(24-16)18-13-17(25-26-18)14-7-4-3-5-8-14;1-9(2,3)8-4-6-10-7-5-8;/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3;4-7H,1-3H3;/q-2;;+2
InChIKeyFSBZSQKUWNGFFS-UHFFFAOYSA-N
MW698.73 g/mol
LogP6.17
Rot. Bonds3

About 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+)

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+) (PubChem CID 156661596) has the molecular formula C31H33N7Pt and a molecular weight of 698.73 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name4-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+)
PubChem CID156661596
Molecular FormulaC31H33N7Pt
Molecular Weight698.73 g/mol
Exact Mass698.24
IUPAC Name4-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+)
SMILESCC(C)(C)c1ccncc1.CC1(C)CCCc2c1n[n-]c2-c1ccnc(-c2cc(-c3ccccc3)n[n-]2)n1.[Pt+2]
InChIInChI=1S/C22H20N6.C9H13N.Pt/c1-22(2)11-6-9-15-19(27-28-20(15)22)16-10-12-23-21(24-16)18-13-17(25-26-18)14-7-4-3-5-8-14;1-9(2,3)8-4-6-10-7-5-8;/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3;4-7H,1-3H3;/q-2;;+2
InChIKeyFSBZSQKUWNGFFS-UHFFFAOYSA-N
XLogP6.17
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.73
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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+) with MolForge

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Related Compounds

4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
CID 156661508
2,6-bis(3-tert-butylpyrazol-1-id-5-yl)-4-(3,5-ditert-butylphenyl)pyridine;1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;3-(3-tert-butylpyrazol-1-id-5-yl)-1-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)isoquinoline;bis(4-tert-butylpyridine);dibenzofuran;tris(platinum(2+))
CID 159457464
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;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
carbazol-9-ide;7,7-dimethyl-3-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-5,6-dihydro-4H-indazol-2-ide;platinum(2+)
CID 140804450
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
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-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
bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)
CID 140814021
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrazine;tetrakis(4-tert-butylpyridine);2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[3-(2-methylpropyl)-4-propan-2-ylpyrazol-1-id-5-yl]pyrazine;3-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydroindazol-2-ide;5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrazin-2-yl]-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+))
CID 157395241
3-[2-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-yl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole
CID 156661713

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1ccncc1.CC1(C)CCCc2c1n[n-]c2-c1ccnc(-c2cc(-c3ccccc3)n[n-]2)n1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is FSBZSQKUWNGFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6.C9H13N.Pt/c1-22(2)11-6-9-15-19(27-28-20(15)22)16-10-12-23-21(24-16)18-13-17(25-26-18)14-7-4-3-5-8-14;1-9(2,3)8-4-6-10-7-5-8;/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3;4-7H,1-3H3;/q-2;;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 698.73 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 156661596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).