3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide

C28H27FN4OS — CID 71102418

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCC1CSC(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)=N1
InChIInChI=1S/C28H27FN4OS/c1-18-17-35-27(31-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)16-30-33(24)23-12-10-22(29)11-13-23/h4-16,18,25H,17H2,1-3H3,(H,31,32,34)
InChIKeyFOHMNNQXWMJJPY-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.93
Rot. Bonds5

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 71102418) has the molecular formula C28H27FN4OS and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID71102418
Molecular FormulaC28H27FN4OS
Molecular Weight486.62 g/mol
Exact Mass486.19
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCC1CSC(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)=N1
InChIInChI=1S/C28H27FN4OS/c1-18-17-35-27(31-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)16-30-33(24)23-12-10-22(29)11-13-23/h4-16,18,25H,17H2,1-3H3,(H,31,32,34)
InChIKeyFOHMNNQXWMJJPY-UHFFFAOYSA-N
XLogP5.93
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide
CID 143670831
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765
3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59252882
[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-4-phenylbutanoyl]-(2-methyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)azanium
CID 146685606
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 71102418) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide is CC1CSC(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)=N1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is FOHMNNQXWMJJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4OS/c1-18-17-35-27(31-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)16-30-33(24)23-12-10-22(29)11-13-23/h4-16,18,25H,17H2,1-3H3,(H,31,32,34).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 486.62 g/mol, XLogP of 5.93, 5 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-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 71102418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).