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

C26H27FN4OS — CID 59252796

IUPAC3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCC1
InChIInChI=1S/C26H27FN4OS/c1-26(2,24(32)30-25-28-13-14-33-25)23(17-5-3-4-6-17)18-7-12-22-19(15-18)16-29-31(22)21-10-8-20(27)9-11-21/h7-17,23H,3-6H2,1-2H3,(H,28,30,32)
InChIKeyLDNSVWRTHNIZIL-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.56
Rot. Bonds6

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

3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252796) has the molecular formula C26H27FN4OS and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252796
Molecular FormulaC26H27FN4OS
Molecular Weight462.59 g/mol
Exact Mass462.19
IUPAC Name3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCC1
InChIInChI=1S/C26H27FN4OS/c1-26(2,24(32)30-25-28-13-14-33-25)23(17-5-3-4-6-17)18-7-12-22-19(15-18)16-29-31(22)21-10-8-20(27)9-11-21/h7-17,23H,3-6H2,1-2H3,(H,28,30,32)
InChIKeyLDNSVWRTHNIZIL-UHFFFAOYSA-N
XLogP6.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-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-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide (CID 59252796) is 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LDNSVWRTHNIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4OS/c1-26(2,24(32)30-25-28-13-14-33-25)23(17-5-3-4-6-17)18-7-12-22-19(15-18)16-29-31(22)21-10-8-20(27)9-11-21/h7-17,23H,3-6H2,1-2H3,(H,28,30,32).
What are the key properties of 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 462.59 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).