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

C28H25FN4OS — CID 24936855

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccccc1C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1
InChIInChI=1S/C28H25FN4OS/c1-18-6-4-5-7-23(18)25(28(2,3)26(34)32-27-30-14-15-35-27)19-8-13-24-20(16-19)17-31-33(24)22-11-9-21(29)10-12-22/h4-17,25H,1-3H3,(H,30,32,34)
InChIKeyLWTYXLJEKHJUPW-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.73
Rot. Bonds6

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

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24936855) has the molecular formula C28H25FN4OS and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24936855
Molecular FormulaC28H25FN4OS
Molecular Weight484.60 g/mol
Exact Mass484.17
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccccc1C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1
InChIInChI=1S/C28H25FN4OS/c1-18-6-4-5-7-23(18)25(28(2,3)26(34)32-27-30-14-15-35-27)19-8-13-24-20(16-19)17-31-33(24)22-11-9-21(29)10-12-22/h4-17,25H,1-3H3,(H,30,32,34)
InChIKeyLWTYXLJEKHJUPW-UHFFFAOYSA-N
XLogP6.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 24936855) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide is Cc1ccccc1C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LWTYXLJEKHJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4OS/c1-18-6-4-5-7-23(18)25(28(2,3)26(34)32-27-30-14-15-35-27)19-8-13-24-20(16-19)17-31-33(24)22-11-9-21(29)10-12-22/h4-17,25H,1-3H3,(H,30,32,34).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 484.60 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24936855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).