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

C31H23FN4OS — CID 88883656

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C31H23FN4OS/c32-25-12-14-26(15-13-25)36-27-16-11-23(19-24(27)20-34-36)28(21-7-3-1-4-8-21)29(22-9-5-2-6-10-22)30(37)35-31-33-17-18-38-31/h1-20,28-29H,(H,33,35,37)
InChIKeyYNAIUUHYWJGAFN-UHFFFAOYSA-N
MW518.62 g/mol
LogP7.18
Rot. Bonds7

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

3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88883656) has the molecular formula C31H23FN4OS and a molecular weight of 518.62 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID88883656
Molecular FormulaC31H23FN4OS
Molecular Weight518.62 g/mol
Exact Mass518.16
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C31H23FN4OS/c32-25-12-14-26(15-13-25)36-27-16-11-23(19-24(27)20-34-36)28(21-7-3-1-4-8-21)29(22-9-5-2-6-10-22)30(37)35-31-33-17-18-38-31/h1-20,28-29H,(H,33,35,37)
InChIKeyYNAIUUHYWJGAFN-UHFFFAOYSA-N
XLogP7.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethyl-N-(1,3-thiazol-2-yl)hex-5-enamide
CID 88883640
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
1-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,3-trimethylbutyl]-3-(1,3-thiazol-2-yl)urea
CID 59251035
methyl 4-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoate
CID 24937870
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
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide (CID 88883656) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(c1ccccc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is YNAIUUHYWJGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN4OS/c32-25-12-14-26(15-13-25)36-27-16-11-23(19-24(27)20-34-36)28(21-7-3-1-4-8-21)29(22-9-5-2-6-10-22)30(37)35-31-33-17-18-38-31/h1-20,28-29H,(H,33,35,37).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 518.62 g/mol, XLogP of 7.18, 7 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]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88883656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).