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

C26H22FN5OS — CID 59252854

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccncc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H22FN5OS/c1-26(2,24(33)31-25-29-13-14-34-25)23(17-9-11-28-12-10-17)18-3-8-22-19(15-18)16-30-32(22)21-6-4-20(27)5-7-21/h3-16,23H,1-2H3,(H,29,31,33)
InChIKeyBVCPREVVCWCHIM-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.81
Rot. Bonds6

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

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252854) has the molecular formula C26H22FN5OS and a molecular weight of 471.56 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252854
Molecular FormulaC26H22FN5OS
Molecular Weight471.56 g/mol
Exact Mass471.15
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccncc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H22FN5OS/c1-26(2,24(33)31-25-29-13-14-34-25)23(17-9-11-28-12-10-17)18-3-8-22-19(15-18)16-30-32(22)21-6-4-20(27)5-7-21/h3-16,23H,1-2H3,(H,29,31,33)
InChIKeyBVCPREVVCWCHIM-UHFFFAOYSA-N
XLogP5.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide 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 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide (CID 59252854) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccncc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is BVCPREVVCWCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5OS/c1-26(2,24(33)31-25-29-13-14-34-25)23(17-9-11-28-12-10-17)18-3-8-22-19(15-18)16-30-32(22)21-6-4-20(27)5-7-21/h3-16,23H,1-2H3,(H,29,31,33).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 471.56 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).