5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine

C21H14FN5S — CID 68705654

IUPAC5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(-c3cnn4cc(-c5ccc(F)cc5)ccc34)c2)s1
InChIInChI=1S/C21H14FN5S/c22-17-7-4-13(5-8-17)16-6-9-19-18(11-24-27(19)12-16)14-2-1-3-15(10-14)20-25-26-21(23)28-20/h1-12H,(H2,23,26)
InChIKeyICBJXBBFHFETJL-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.91
Rot. Bonds3

About 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine

5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 68705654) has the molecular formula C21H14FN5S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID68705654
Molecular FormulaC21H14FN5S
Molecular Weight387.44 g/mol
Exact Mass387.10
IUPAC Name5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(-c3cnn4cc(-c5ccc(F)cc5)ccc34)c2)s1
InChIInChI=1S/C21H14FN5S/c22-17-7-4-13(5-8-17)16-6-9-19-18(11-24-27(19)12-16)14-2-1-3-15(10-14)20-25-26-21(23)28-20/h1-12H,(H2,23,26)
InChIKeyICBJXBBFHFETJL-UHFFFAOYSA-N
XLogP4.91
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine (CID 68705654) is 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc(-c3cnn4cc(-c5ccc(F)cc5)ccc34)c2)s1.
What is the InChIKey of 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ICBJXBBFHFETJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5S/c22-17-7-4-13(5-8-17)16-6-9-19-18(11-24-27(19)12-16)14-2-1-3-15(10-14)20-25-26-21(23)28-20/h1-12H,(H2,23,26).
What are the key properties of 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine?
5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 387.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 68705654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).