1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)

C79H67N13O12S4 — CID 158463832

About 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)

1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) (PubChem CID 158463832) has the molecular formula C79H67N13O12S4 and a molecular weight of 1518.75 g/mol. Its IUPAC name is 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate).

Molecular Properties

• Compound Name: 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)
• PubChem CID: 158463832
• Molecular Formula: C79H67N13O12S4
• Molecular Weight: 1518.75 g/mol
• Exact Mass: 1517.39
• IUPAC Name: 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)
• SMILES: COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12.O=C(c1cccnc1)c1c[nH]c2ccccc12.O=C(c1ccncc1)c1c[nH]c2ccccc12.O=C(c1cnccn1)c1c[nH]c2ccccc12
• InChI: InChI=1S/3C14H10N2O.C13H9N3O.4C6H7NO2S/c17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12;17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13;17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;4*1-4-7-5(3-10-4)6(8)9-2/h3*1-9,16H;1-8,16H;4*3H,1-2H3
• InChIKey: HFMUDENLUKYUSI-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 352.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.75
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

The IUPAC name of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) (CID 158463832) is 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate).

What is the SMILES notation for 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

The canonical SMILES for 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) is COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12.O=C(c1cccnc1)c1c[nH]c2ccccc12.O=C(c1ccncc1)c1c[nH]c2ccccc12.O=C(c1cnccn1)c1c[nH]c2ccccc12.

What is the InChIKey of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

The InChIKey is HFMUDENLUKYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H10N2O.C13H9N3O.4C6H7NO2S/c17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12;17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13;17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;4*1-4-7-5(3-10-4)6(8)9-2/h3*1-9,16H;1-8,16H;4*3H,1-2H3.

What are the key properties of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) has a molecular weight of 1518.75 g/mol, XLogP of 15.52, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) is sourced from PubChem (CID 158463832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).