acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc

C118H147BrCl3N20O16S6Zn- — CID 159873750

About acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc

acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc (PubChem CID 159873750) has the molecular formula C118H147BrCl3N20O16S6Zn- and a molecular weight of 2545.65 g/mol. Its IUPAC name is acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc.

Molecular Properties

• Compound Name: acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc
• PubChem CID: 159873750
• Molecular Formula: C118H147BrCl3N20O16S6Zn-
• Molecular Weight: 2545.65 g/mol
• Exact Mass: 2539.72
• IUPAC Name: acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc
• SMILES: C.C.C.C.C.CC(=O)O.COc1ccc(CS)cc1.COc1ccc(CSc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)cc1.Cc1cc(Br)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(S)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Sc2ccnc(Cl)n2)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Sc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Sc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1.Clc1ccnc(Cl)n1.[CH3-].[Zn]
• InChI: InChI=1S/C21H24N2O3S.C17H17ClN4O2S.2C17H18N4O2S.C13H15BrN2O2.C13H16N2O2S.C8H10OS.C4H2Cl2N2.C2H4O2.5CH4.CH3.Zn/c1-14-12-17(27-13-15-6-8-16(26-2)9-7-15)20(25)23-18(14)19(24)22-21(23)10-4-3-5-11-21;1-10-9-11(25-12-5-8-19-16(18)20-12)15(24)22-13(10)14(23)21-17(22)6-3-2-4-7-17;2*1-11-9-12(24-13-5-8-18-10-19-13)16(23)21-14(11)15(22)20-17(21)6-3-2-4-7-17;1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13;1-8-7-9(18)12(17)15-10(8)11(16)14-13(15)5-3-2-4-6-13;1-9-8-4-2-7(6-10)3-5-8;5-3-1-2-7-4(6)8-3;1-2(3)4;;;;;;;/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24);5,8-9H,2-4,6-7H2,1H3,(H,21,23);2*5,8-10H,2-4,6-7H2,1H3,(H,20,22);7H,2-6H2,1H3,(H,15,17);7,18H,2-6H2,1H3,(H,14,16);2-5,10H,6H2,1H3;1-2H;1H3,(H,3,4);5*1H4;1H3;/q;;;;;;;;;;;;;;-1
• InChIKey: SCUKTDFFKUCHRS-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 465.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2545.65
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc?

The IUPAC name of acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc (CID 159873750) is acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc.

What is the SMILES notation for acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc?

The canonical SMILES for acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc is C.C.C.C.C.CC(=O)O.COc1ccc(CS)cc1.COc1ccc(CSc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)cc1.Cc1cc(Br)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(S)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Sc2ccnc(Cl)n2)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Sc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1.Cc1cc(Sc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1.Clc1ccnc(Cl)n1.[CH3-].[Zn].

What is the InChIKey of acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc?

The InChIKey is SCUKTDFFKUCHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S.C17H17ClN4O2S.2C17H18N4O2S.C13H15BrN2O2.C13H16N2O2S.C8H10OS.C4H2Cl2N2.C2H4O2.5CH4.CH3.Zn/c1-14-12-17(27-13-15-6-8-16(26-2)9-7-15)20(25)23-18(14)19(24)22-21(23)10-4-3-5-11-21;1-10-9-11(25-12-5-8-19-16(18)20-12)15(24)22-13(10)14(23)21-17(22)6-3-2-4-7-17;2*1-11-9-12(24-13-5-8-18-10-19-13)16(23)21-14(11)15(22)20-17(21)6-3-2-4-7-17;1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13;1-8-7-9(18)12(17)15-10(8)11(16)14-13(15)5-3-2-4-6-13;1-9-8-4-2-7(6-10)3-5-8;5-3-1-2-7-4(6)8-3;1-2(3)4;;;;;;;/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24);5,8-9H,2-4,6-7H2,1H3,(H,21,23);2*5,8-10H,2-4,6-7H2,1H3,(H,20,22);7H,2-6H2,1H3,(H,15,17);7,18H,2-6H2,1H3,(H,14,16);2-5,10H,6H2,1H3;1-2H;1H3,(H,3,4);5*1H4;1H3;/q;;;;;;;;;;;;;;-1;.

What are the key properties of acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc?

acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc has a molecular weight of 2545.65 g/mol, XLogP of 23.56, 12 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;carbanide;6-(2-chloropyrimidin-4-yl)sulfanyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;2,4-dichloropyrimidine;methane;(4-methoxyphenyl)methanethiol;6-[(4-methoxyphenyl)methylsulfanyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;bis(8-methyl-6-pyrimidin-4-ylsulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);8-methyl-6-sulfanylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;zinc is sourced from PubChem (CID 159873750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).