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

C27H23FN4OS — CID 88883654

IUPAC2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C27H23FN4OS/c1-2-23(26(33)31-27-29-14-15-34-27)25(18-6-4-3-5-7-18)19-8-13-24-20(16-19)17-30-32(24)22-11-9-21(28)10-12-22/h3-17,23,25H,2H2,1H3,(H,29,31,33)
InChIKeyIKNIYNXVLDLNCO-UHFFFAOYSA-N
MW470.57 g/mol
LogP6.42
Rot. Bonds7

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

2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 88883654) has the molecular formula C27H23FN4OS and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID88883654
Molecular FormulaC27H23FN4OS
Molecular Weight470.57 g/mol
Exact Mass470.16
IUPAC Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C27H23FN4OS/c1-2-23(26(33)31-27-29-14-15-34-27)25(18-6-4-3-5-7-18)19-8-13-24-20(16-19)17-30-32(24)22-11-9-21(28)10-12-22/h3-17,23,25H,2H2,1H3,(H,29,31,33)
InChIKeyIKNIYNXVLDLNCO-UHFFFAOYSA-N
XLogP6.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide 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)butanamide?
The IUPAC name of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide (CID 88883654) is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide is CCC(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)butanamide?
The InChIKey is IKNIYNXVLDLNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4OS/c1-2-23(26(33)31-27-29-14-15-34-27)25(18-6-4-3-5-7-18)19-8-13-24-20(16-19)17-30-32(24)22-11-9-21(28)10-12-22/h3-17,23,25H,2H2,1H3,(H,29,31,33).
What are the key properties of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide?
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 470.57 g/mol, XLogP of 6.42, 7 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)butanamide is sourced from PubChem (CID 88883654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).