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

C27H24FN7OS — CID 135151336

IUPAC2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)n1cc2ccc(-c3ccc(N4CCNCC4)nc3)c(F)c2n1
InChIInChI=1S/C27H24FN7OS/c28-23-21(19-7-9-22(31-16-19)34-13-10-29-11-14-34)8-6-20-17-35(33-24(20)23)25(18-4-2-1-3-5-18)26(36)32-27-30-12-15-37-27/h1-9,12,15-17,25,29H,10-11,13-14H2,(H,30,32,36)
InChIKeyUYSHBWKPKHLJCK-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.33
Rot. Bonds6

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

2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135151336) has the molecular formula C27H24FN7OS and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135151336
Molecular FormulaC27H24FN7OS
Molecular Weight513.60 g/mol
Exact Mass513.17
IUPAC Name2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)n1cc2ccc(-c3ccc(N4CCNCC4)nc3)c(F)c2n1
InChIInChI=1S/C27H24FN7OS/c28-23-21(19-7-9-22(31-16-19)34-13-10-29-11-14-34)8-6-20-17-35(33-24(20)23)25(18-4-2-1-3-5-18)26(36)32-27-30-12-15-37-27/h1-9,12,15-17,25,29H,10-11,13-14H2,(H,30,32,36)
InChIKeyUYSHBWKPKHLJCK-UHFFFAOYSA-N
XLogP4.33
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 135151336) is 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ccccc1)n1cc2ccc(-c3ccc(N4CCNCC4)nc3)c(F)c2n1.
What is the InChIKey of 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is UYSHBWKPKHLJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7OS/c28-23-21(19-7-9-22(31-16-19)34-13-10-29-11-14-34)8-6-20-17-35(33-24(20)23)25(18-4-2-1-3-5-18)26(36)32-27-30-12-15-37-27/h1-9,12,15-17,25,29H,10-11,13-14H2,(H,30,32,36).
What are the key properties of 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 513.60 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-6-(6-piperazin-1-yl-3-pyridinyl)indazol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135151336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).