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

C27H29FN4OS — CID 24936732

IUPAC3-cyclohexyl-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)C1CCCCC1
InChIInChI=1S/C27H29FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h8-18,24H,3-7H2,1-2H3,(H,29,31,33)
InChIKeyNBNSZVLATIZARV-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.95
Rot. Bonds6

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

3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24936732) has the molecular formula C27H29FN4OS and a molecular weight of 476.62 g/mol. Its IUPAC name is 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24936732
Molecular FormulaC27H29FN4OS
Molecular Weight476.62 g/mol
Exact Mass476.20
IUPAC Name3-cyclohexyl-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)C1CCCCC1
InChIInChI=1S/C27H29FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h8-18,24H,3-7H2,1-2H3,(H,29,31,33)
InChIKeyNBNSZVLATIZARV-UHFFFAOYSA-N
XLogP6.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-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-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide (CID 24936732) is 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-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)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NBNSZVLATIZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h8-18,24H,3-7H2,1-2H3,(H,29,31,33).
What are the key properties of 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide?
3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 476.62 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24936732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).