[2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C77H54N12O10S4 — CID 123281800

About [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 123281800) has the molecular formula C77H54N12O10S4 and a molecular weight of 1435.62 g/mol. Its IUPAC name is [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 123281800
• Molecular Formula: C77H54N12O10S4
• Molecular Weight: 1435.62 g/mol
• Exact Mass: 1434.30
• IUPAC Name: [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: COc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.O=COc1csc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)n1
• InChI: InChI=1S/C23H15N3O3S.C18H13N3O3S.2C18H13N3O2S/c27-15-28-21-14-30-23(24-21)26-20-9-5-4-8-19(20)22(25-26)16-10-12-18(13-11-16)29-17-6-2-1-3-7-17;1-23-13-8-6-12(7-9-13)17-14-4-2-3-5-15(14)21(20-17)18-19-16(10-25-18)24-11-22;2*1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)21(20-17)18-19-16(10-24-18)23-11-22/h1-15H;2-11H,1H3;2*2-11H,1H3
• InChIKey: YJWYELXDASHHDK-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 246.50 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.62
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The IUPAC name of [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 123281800) is [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

What is the SMILES notation for [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The canonical SMILES for [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is COc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.O=COc1csc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)n1.

What is the InChIKey of [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is YJWYELXDASHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S.C18H13N3O3S.2C18H13N3O2S/c27-15-28-21-14-30-23(24-21)26-20-9-5-4-8-19(20)22(25-26)16-10-12-18(13-11-16)29-17-6-2-1-3-7-17;1-23-13-8-6-12(7-9-13)17-14-4-2-3-5-15(14)21(20-17)18-19-16(10-25-18)24-11-22;2*1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)21(20-17)18-19-16(10-24-18)23-11-22/h1-15H;2-11H,1H3;2*2-11H,1H3.

What are the key properties of [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

[2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 1435.62 g/mol, XLogP of 17.15, 19 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 123281800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).