[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate

C25H16F3N3O4S — CID 88910771

IUPAC[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc32)n1
InChIInChI=1S/C25H16F3N3O4S/c26-25(27,28)35-18-8-6-16(7-9-18)13-33-19-10-11-20-21(12-19)31(24-29-22(14-36-24)34-15-32)30-23(20)17-4-2-1-3-5-17/h1-12,14-15H,13H2
InChIKeyXCCVHDDODKEMOR-UHFFFAOYSA-N
MW511.48 g/mol
LogP6.16
Rot. Bonds8

About [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910771) has the molecular formula C25H16F3N3O4S and a molecular weight of 511.48 g/mol. Its IUPAC name is [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910771
Molecular FormulaC25H16F3N3O4S
Molecular Weight511.48 g/mol
Exact Mass511.08
IUPAC Name[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc32)n1
InChIInChI=1S/C25H16F3N3O4S/c26-25(27,28)35-18-8-6-16(7-9-18)13-33-19-10-11-20-21(12-19)31(24-29-22(14-36-24)34-15-32)30-23(20)17-4-2-1-3-5-17/h1-12,14-15H,13H2
InChIKeyXCCVHDDODKEMOR-UHFFFAOYSA-N
XLogP6.16
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910758
[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910772
[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910711
[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
2-(3,6-diphenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179873
2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611642
ethyl 2-[6-(2,2-dimethylpropanoylamino)-3-phenylindazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67059782
6-phenylmethoxy-3-[4-(trifluoromethoxy)phenyl]-2H-phthalazine-1,4-dione
CID 138585684
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698

Frequently Asked Questions

What is the IUPAC name of [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910771) is [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc32)n1.
What is the InChIKey of [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is XCCVHDDODKEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O4S/c26-25(27,28)35-18-8-6-16(7-9-18)13-33-19-10-11-20-21(12-19)31(24-29-22(14-36-24)34-15-32)30-23(20)17-4-2-1-3-5-17/h1-12,14-15H,13H2.
What are the key properties of [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 511.48 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).