[2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C94H65N15O12S5 — CID 123945518

About [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 123945518) has the molecular formula C94H65N15O12S5 and a molecular weight of 1756.98 g/mol. Its IUPAC name is [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 123945518
• Molecular Formula: C94H65N15O12S5
• Molecular Weight: 1756.98 g/mol
• Exact Mass: 1755.35
• IUPAC Name: [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: Cc1cccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)c1.Cc1cccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)c1.O=COc1csc(-n2nc(-c3cccc(-c4ccccc4)c3)c3ccccc32)n1.O=COc1csc(-n2nc(-c3cccc(CO)c3)c3ccccc32)n1.O=COc1csc(-n2nc(-c3cccc(O)c3)c3ccccc32)n1
• InChI: InChI=1S/C23H15N3O2S.C18H13N3O3S.2C18H13N3O2S.C17H11N3O3S/c27-15-28-21-14-29-23(24-21)26-20-12-5-4-11-19(20)22(25-26)18-10-6-9-17(13-18)16-7-2-1-3-8-16;22-9-12-4-3-5-13(8-12)17-14-6-1-2-7-15(14)21(20-17)18-19-16(10-25-18)24-11-23;2*1-12-5-4-6-13(9-12)17-14-7-2-3-8-15(14)21(20-17)18-19-16(10-24-18)23-11-22;21-10-23-15-9-24-17(18-15)20-14-7-2-1-6-13(14)16(19-20)11-4-3-5-12(22)8-11/h1-15H;1-8,10-11,22H,9H2;2*2-11H,1H3;1-10,22H
• InChIKey: YSAXIPGRESYGQQ-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 325.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.98
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 123945518) is [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

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

The canonical SMILES for [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is Cc1cccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)c1.Cc1cccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)c1.O=COc1csc(-n2nc(-c3cccc(-c4ccccc4)c3)c3ccccc32)n1.O=COc1csc(-n2nc(-c3cccc(CO)c3)c3ccccc32)n1.O=COc1csc(-n2nc(-c3cccc(O)c3)c3ccccc32)n1.

What is the InChIKey of [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is YSAXIPGRESYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2S.C18H13N3O3S.2C18H13N3O2S.C17H11N3O3S/c27-15-28-21-14-29-23(24-21)26-20-12-5-4-11-19(20)22(25-26)18-10-6-9-17(13-18)16-7-2-1-3-8-16;22-9-12-4-3-5-13(8-12)17-14-6-1-2-7-15(14)21(20-17)18-19-16(10-25-18)24-11-23;2*1-12-5-4-6-13(9-12)17-14-7-2-3-8-15(14)21(20-17)18-19-16(10-24-18)23-11-22;21-10-23-15-9-24-17(18-15)20-14-7-2-1-6-13(14)16(19-20)11-4-3-5-12(22)8-11/h1-15H;1-8,10-11,22H,9H2;2*2-11H,1H3;1-10,22H.

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

[2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 1756.98 g/mol, XLogP of 19.90, 22 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 123945518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).