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+)

C32H37N7Pt — CID 156661559

IUPAC4-tert-butylpyridine;2-[3-(2-methylpropyl)-4-propan-2-ylpyrazol-1-id-5-yl]-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;platinum(2+)
SMILESCC(C)(C)c1ccncc1.CC(C)Cc1n[n-]c(-c2cncc(-c3cc(-c4ccccc4)n[n-]3)n2)c1C(C)C.[Pt+2]
InChIInChI=1S/C23H24N6.C9H13N.Pt/c1-14(2)10-19-22(15(3)4)23(29-28-19)21-13-24-12-20(25-21)18-11-17(26-27-18)16-8-6-5-7-9-16;1-9(2,3)8-4-6-10-7-5-8;/h5-9,11-15H,10H2,1-4H3;4-7H,1-3H3;/q-2;;+2
InChIKeySUUIGKMZRKHBSO-UHFFFAOYSA-N
MW714.78 g/mol
LogP6.88
Rot. Bonds6

About 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+)

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+) (PubChem CID 156661559) has the molecular formula C32H37N7Pt and a molecular weight of 714.78 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name4-tert-butylpyridine;2-[3-(2-methylpropyl)-4-propan-2-ylpyrazol-1-id-5-yl]-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;platinum(2+)
PubChem CID156661559
Molecular FormulaC32H37N7Pt
Molecular Weight714.78 g/mol
Exact Mass714.28
IUPAC Name4-tert-butylpyridine;2-[3-(2-methylpropyl)-4-propan-2-ylpyrazol-1-id-5-yl]-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;platinum(2+)
SMILESCC(C)(C)c1ccncc1.CC(C)Cc1n[n-]c(-c2cncc(-c3cc(-c4ccccc4)n[n-]3)n2)c1C(C)C.[Pt+2]
InChIInChI=1S/C23H24N6.C9H13N.Pt/c1-14(2)10-19-22(15(3)4)23(29-28-19)21-13-24-12-20(25-21)18-11-17(26-27-18)16-8-6-5-7-9-16;1-9(2,3)8-4-6-10-7-5-8;/h5-9,11-15H,10H2,1-4H3;4-7H,1-3H3;/q-2;;+2
InChIKeySUUIGKMZRKHBSO-UHFFFAOYSA-N
XLogP6.88
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.78
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
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
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
3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)
CID 168793706
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
2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine
CID 134415035
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
CID 140723069
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1ccncc1.CC(C)Cc1n[n-]c(-c2cncc(-c3cc(-c4ccccc4)n[n-]3)n2)c1C(C)C.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is SUUIGKMZRKHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6.C9H13N.Pt/c1-14(2)10-19-22(15(3)4)23(29-28-19)21-13-24-12-20(25-21)18-11-17(26-27-18)16-8-6-5-7-9-16;1-9(2,3)8-4-6-10-7-5-8;/h5-9,11-15H,10H2,1-4H3;4-7H,1-3H3;/q-2;;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 714.78 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 156661559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).