2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C26H18FN5O3S — CID 135351597

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc4[nH]ncc4c3)cc2C1=O
InChIInChI=1S/C26H18FN5O3S/c27-18-4-6-22(33)20(11-18)23(24(34)30-26-28-7-8-36-26)32-13-16-2-1-15(10-19(16)25(32)35)14-3-5-21-17(9-14)12-29-31-21/h1-12,23,33H,13H2,(H,29,31)(H,28,30,34)
InChIKeyILFHBIJYGVSJEE-UHFFFAOYSA-N
MW499.53 g/mol
LogP4.87
Rot. Bonds5

About 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135351597) has the molecular formula C26H18FN5O3S and a molecular weight of 499.53 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135351597
Molecular FormulaC26H18FN5O3S
Molecular Weight499.53 g/mol
Exact Mass499.11
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc4[nH]ncc4c3)cc2C1=O
InChIInChI=1S/C26H18FN5O3S/c27-18-4-6-22(33)20(11-18)23(24(34)30-26-28-7-8-36-26)32-13-16-2-1-15(10-19(16)25(32)35)14-3-5-21-17(9-14)12-29-31-21/h1-12,23,33H,13H2,(H,29,31)(H,28,30,34)
InChIKeyILFHBIJYGVSJEE-UHFFFAOYSA-N
XLogP4.87
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 135351597) is 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc4[nH]ncc4c3)cc2C1=O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ILFHBIJYGVSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O3S/c27-18-4-6-22(33)20(11-18)23(24(34)30-26-28-7-8-36-26)32-13-16-2-1-15(10-19(16)25(32)35)14-3-5-21-17(9-14)12-29-31-21/h1-12,23,33H,13H2,(H,29,31)(H,28,30,34).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 499.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135351597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).