2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C28H25FN6OS — CID 135151376

IUPAC2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)n1cc2ccc(-c3ccc(N4CCNCC4)cc3)c(F)c2n1
InChIInChI=1S/C28H25FN6OS/c29-24-23(19-6-9-22(10-7-19)34-15-12-30-13-16-34)11-8-21-18-35(33-25(21)24)26(20-4-2-1-3-5-20)27(36)32-28-31-14-17-37-28/h1-11,14,17-18,26,30H,12-13,15-16H2,(H,31,32,36)
InChIKeyVWNGEDWJXVFOSZ-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.94
Rot. Bonds6

About 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135151376) has the molecular formula C28H25FN6OS and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135151376
Molecular FormulaC28H25FN6OS
Molecular Weight512.61 g/mol
Exact Mass512.18
IUPAC Name2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)n1cc2ccc(-c3ccc(N4CCNCC4)cc3)c(F)c2n1
InChIInChI=1S/C28H25FN6OS/c29-24-23(19-6-9-22(10-7-19)34-15-12-30-13-16-34)11-8-21-18-35(33-25(21)24)26(20-4-2-1-3-5-20)27(36)32-28-31-14-17-37-28/h1-11,14,17-18,26,30H,12-13,15-16H2,(H,31,32,36)
InChIKeyVWNGEDWJXVFOSZ-UHFFFAOYSA-N
XLogP4.94
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 135151376) is 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ccccc1)n1cc2ccc(-c3ccc(N4CCNCC4)cc3)c(F)c2n1.
What is the InChIKey of 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VWNGEDWJXVFOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6OS/c29-24-23(19-6-9-22(10-7-19)34-15-12-30-13-16-34)11-8-21-18-35(33-25(21)24)26(20-4-2-1-3-5-20)27(36)32-28-31-14-17-37-28/h1-11,14,17-18,26,30H,12-13,15-16H2,(H,31,32,36).
What are the key properties of 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 512.61 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-6-(4-piperazin-1-ylphenyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135151376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).