4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole

C63H52N17O2Pt4S2-3 — CID 160912459

IUPAC4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole
SMILESCC(=O)C=C(C)O.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1ncc(-c2cccnc2)n1-c1nccs1
InChIInChI=1S/2C13H11N4.C12H8N3S.C11H7N4S.C9H7N2.C5H8O2.4Pt/c1-16-9-7-12(15-16)17-10-8-14-13(17)11-5-3-2-4-6-11;1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;/h2*2-9H,1H3;1-7,9H;1-7H;1-5,7-8H;3,6H,1-2H3;;;;/q5*-1;;;;;+2
InChIKeySJQDXUASCCFJAQ-UHFFFAOYSA-N
MW1923.67 g/mol
LogP11.83
Rot. Bonds10

About 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole

4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole (PubChem CID 160912459) has the molecular formula C63H52N17O2Pt4S2-3 and a molecular weight of 1923.67 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole
PubChem CID160912459
Molecular FormulaC63H52N17O2Pt4S2-3
Molecular Weight1923.67 g/mol
Exact Mass1922.25
IUPAC Name4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole
SMILESCC(=O)C=C(C)O.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1ncc(-c2cccnc2)n1-c1nccs1
InChIInChI=1S/2C13H11N4.C12H8N3S.C11H7N4S.C9H7N2.C5H8O2.4Pt/c1-16-9-7-12(15-16)17-10-8-14-13(17)11-5-3-2-4-6-11;1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;/h2*2-9H,1H3;1-7,9H;1-7H;1-5,7-8H;3,6H,1-2H3;;;;/q5*-1;;;;;+2
InChIKeySJQDXUASCCFJAQ-UHFFFAOYSA-N
XLogP11.83
TPSA200.71 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001923.67
LogP ≤ 511.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?
The IUPAC name of 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole (CID 160912459) is 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?
The canonical SMILES for 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole is CC(=O)C=C(C)O.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1ncc(-c2cccnc2)n1-c1nccs1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?
The InChIKey is SJQDXUASCCFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11N4.C12H8N3S.C11H7N4S.C9H7N2.C5H8O2.4Pt/c1-16-9-7-12(15-16)17-10-8-14-13(17)11-5-3-2-4-6-11;1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;/h2*2-9H,1H3;1-7,9H;1-7H;1-5,7-8H;3,6H,1-2H3;;;;/q5*-1;;;;;+2.
What are the key properties of 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?
4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole has a molecular weight of 1923.67 g/mol, XLogP of 11.83, 10 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole is sourced from PubChem (CID 160912459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).