2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide

C28H25FN4OS — CID 88883655

IUPAC2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCCC(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H25FN4OS/c1-2-6-24(27(34)32-28-30-15-16-35-28)26(19-7-4-3-5-8-19)20-9-14-25-21(17-20)18-31-33(25)23-12-10-22(29)11-13-23/h3-5,7-18,24,26H,2,6H2,1H3,(H,30,32,34)
InChIKeySULNQUPHEWGMBS-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.81
Rot. Bonds8

About 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide

2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 88883655) has the molecular formula C28H25FN4OS and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID88883655
Molecular FormulaC28H25FN4OS
Molecular Weight484.60 g/mol
Exact Mass484.17
IUPAC Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCCC(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H25FN4OS/c1-2-6-24(27(34)32-28-30-15-16-35-28)26(19-7-4-3-5-8-19)20-9-14-25-21(17-20)18-31-33(25)23-12-10-22(29)11-13-23/h3-5,7-18,24,26H,2,6H2,1H3,(H,30,32,34)
InChIKeySULNQUPHEWGMBS-UHFFFAOYSA-N
XLogP6.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide 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-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide (CID 88883655) is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide is CCCC(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is SULNQUPHEWGMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4OS/c1-2-6-24(27(34)32-28-30-15-16-35-28)26(19-7-4-3-5-8-19)20-9-14-25-21(17-20)18-31-33(25)23-12-10-22(29)11-13-23/h3-5,7-18,24,26H,2,6H2,1H3,(H,30,32,34).
What are the key properties of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide?
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 484.60 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 88883655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).