2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C32H25FN4OS — CID 88883651

IUPAC2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(Cc1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C32H25FN4OS/c33-26-12-14-27(15-13-26)37-29-16-11-24(20-25(29)21-35-37)30(23-9-5-2-6-10-23)28(19-22-7-3-1-4-8-22)31(38)36-32-34-17-18-39-32/h1-18,20-21,28,30H,19H2,(H,34,36,38)
InChIKeyZWUVYBJTKRCUEU-UHFFFAOYSA-N
MW532.64 g/mol
LogP7.25
Rot. Bonds8

About 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88883651) has the molecular formula C32H25FN4OS and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID88883651
Molecular FormulaC32H25FN4OS
Molecular Weight532.64 g/mol
Exact Mass532.17
IUPAC Name2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(Cc1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C32H25FN4OS/c33-26-12-14-27(15-13-26)37-29-16-11-24(20-25(29)21-35-37)30(23-9-5-2-6-10-23)28(19-22-7-3-1-4-8-22)31(38)36-32-34-17-18-39-32/h1-18,20-21,28,30H,19H2,(H,34,36,38)
InChIKeyZWUVYBJTKRCUEU-UHFFFAOYSA-N
XLogP7.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 88883651) is 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(Cc1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZWUVYBJTKRCUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4OS/c33-26-12-14-27(15-13-26)37-29-16-11-24(20-25(29)21-35-37)30(23-9-5-2-6-10-23)28(19-22-7-3-1-4-8-22)31(38)36-32-34-17-18-39-32/h1-18,20-21,28,30H,19H2,(H,34,36,38).
What are the key properties of 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 532.64 g/mol, XLogP of 7.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88883651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).