3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide

C23H24FN5OS — CID 24936984

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1
InChIInChI=1S/C23H24FN5OS/c1-14(2)20(23(3,4)21(30)27-22-28-25-13-31-22)15-5-10-19-16(11-15)12-26-29(19)18-8-6-17(24)7-9-18/h5-14,20H,1-4H3,(H,27,28,30)
InChIKeyBQKIGIFFBLCDGH-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.42
Rot. Bonds6

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 24936984) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID24936984
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1
InChIInChI=1S/C23H24FN5OS/c1-14(2)20(23(3,4)21(30)27-22-28-25-13-31-22)15-5-10-19-16(11-15)12-26-29(19)18-8-6-17(24)7-9-18/h5-14,20H,1-4H3,(H,27,28,30)
InChIKeyBQKIGIFFBLCDGH-UHFFFAOYSA-N
XLogP5.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide (CID 24936984) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide is CC(C)C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is BQKIGIFFBLCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-14(2)20(23(3,4)21(30)27-22-28-25-13-31-22)15-5-10-19-16(11-15)12-26-29(19)18-8-6-17(24)7-9-18/h5-14,20H,1-4H3,(H,27,28,30).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 437.54 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 24936984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).