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

C70H46ClFN12O9S4 — CID 123979115

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

[2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 123979115) has the molecular formula C70H46ClFN12O9S4 and a molecular weight of 1381.93 g/mol. Its IUPAC name is [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 123979115
• Molecular Formula: C70H46ClFN12O9S4
• Molecular Weight: 1381.93 g/mol
• Exact Mass: 1380.21
• IUPAC Name: [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: COc1ccccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12.Cc1ccccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12.O=COc1csc(-n2nc(-c3cccc(Cl)c3)c3ccccc32)n1.O=COc1csc(-n2nc(-c3cccc(F)c3)c3ccccc32)n1
• InChI: InChI=1S/C18H13N3O3S.C18H13N3O2S.C17H10ClN3O2S.C17H10FN3O2S/c1-23-15-9-5-3-7-13(15)17-12-6-2-4-8-14(12)21(20-17)18-19-16(10-25-18)24-11-22;1-12-6-2-3-7-13(12)17-14-8-4-5-9-15(14)21(20-17)18-19-16(10-24-18)23-11-22;2*18-12-5-3-4-11(8-12)16-13-6-1-2-7-14(13)21(20-16)17-19-15(9-24-17)23-10-22/h2-11H,1H3;2-11H,1H3;2*1-10H
• InChIKey: LYYUIDRYMRWEAE-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 237.27 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.93
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 123979115) is [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

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

The canonical SMILES for [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is COc1ccccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12.Cc1ccccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12.O=COc1csc(-n2nc(-c3cccc(Cl)c3)c3ccccc32)n1.O=COc1csc(-n2nc(-c3cccc(F)c3)c3ccccc32)n1.

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

The InChIKey is LYYUIDRYMRWEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S.C18H13N3O2S.C17H10ClN3O2S.C17H10FN3O2S/c1-23-15-9-5-3-7-13(15)17-12-6-2-4-8-14(12)21(20-17)18-19-16(10-25-18)24-11-22;1-12-6-2-3-7-13(12)17-14-8-4-5-9-15(14)21(20-17)18-19-16(10-24-18)23-11-22;2*18-12-5-3-4-11(8-12)16-13-6-1-2-7-14(13)21(20-16)17-19-15(9-24-17)23-10-22/h2-11H,1H3;2-11H,1H3;2*1-10H.

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

[2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 1381.93 g/mol, XLogP of 15.85, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(3-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 123979115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).