3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H20FN7O — CID 118110169

IUPAC3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN7O/c22-16-3-1-13(2-4-16)20-27-28-21(30-20)18-9-14(10-25-19(18)23)15-11-26-29(12-15)17-5-7-24-8-6-17/h1-4,9-12,17,24H,5-8H2,(H2,23,25)
InChIKeyUIKPZWWGPHOMGP-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.31
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 118110169) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID118110169
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN7O/c22-16-3-1-13(2-4-16)20-27-28-21(30-20)18-9-14(10-25-19(18)23)15-11-26-29(12-15)17-5-7-24-8-6-17/h1-4,9-12,17,24H,5-8H2,(H2,23,25)
InChIKeyUIKPZWWGPHOMGP-UHFFFAOYSA-N
XLogP3.31
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 118110169) is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is UIKPZWWGPHOMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-16-3-1-13(2-4-16)20-27-28-21(30-20)18-9-14(10-25-19(18)23)15-11-26-29(12-15)17-5-7-24-8-6-17/h1-4,9-12,17,24H,5-8H2,(H2,23,25).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 405.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118110169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).