3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide

C28H24FN3OS — CID 24936598

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccsc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H24FN3OS/c1-28(2,27(33)31-23-14-15-34-18-23)26(19-6-4-3-5-7-19)20-8-13-25-21(16-20)17-30-32(25)24-11-9-22(29)10-12-24/h3-18,26H,1-2H3,(H,31,33)
InChIKeyFTJPRVWUBOKWOC-UHFFFAOYSA-N
MW469.59 g/mol
LogP7.02
Rot. Bonds6

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide (PubChem CID 24936598) has the molecular formula C28H24FN3OS and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide
PubChem CID24936598
Molecular FormulaC28H24FN3OS
Molecular Weight469.59 g/mol
Exact Mass469.16
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccsc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H24FN3OS/c1-28(2,27(33)31-23-14-15-34-18-23)26(19-6-4-3-5-7-19)20-8-13-25-21(16-20)17-30-32(25)24-11-9-22(29)10-12-24/h3-18,26H,1-2H3,(H,31,33)
InChIKeyFTJPRVWUBOKWOC-UHFFFAOYSA-N
XLogP7.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide (CID 24936598) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide is CC(C)(C(=O)Nc1ccsc1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide?
The InChIKey is FTJPRVWUBOKWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3OS/c1-28(2,27(33)31-23-14-15-34-18-23)26(19-6-4-3-5-7-19)20-8-13-25-21(16-20)17-30-32(25)24-11-9-22(29)10-12-24/h3-18,26H,1-2H3,(H,31,33).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide has a molecular weight of 469.59 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 24936598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).