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

C21H19F2N7O — CID 118110242

IUPAC3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C21H19F2N7O/c22-14-1-2-18(23)16(8-14)20-28-29-21(31-20)17-7-12(9-26-19(17)24)13-10-27-30(11-13)15-3-5-25-6-4-15/h1-2,7-11,15,25H,3-6H2,(H2,24,26)
InChIKeyHJZZSPZLHHJFGM-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.45
Rot. Bonds4

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

3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 118110242) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID118110242
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC Name3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C21H19F2N7O/c22-14-1-2-18(23)16(8-14)20-28-29-21(31-20)17-7-12(9-26-19(17)24)13-10-27-30(11-13)15-3-5-25-6-4-15/h1-2,7-11,15,25H,3-6H2,(H2,24,26)
InChIKeyHJZZSPZLHHJFGM-UHFFFAOYSA-N
XLogP3.45
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 118110242) is 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2cc(F)ccc2F)o1.
What is the InChIKey of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is HJZZSPZLHHJFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c22-14-1-2-18(23)16(8-14)20-28-29-21(31-20)17-7-12(9-26-19(17)24)13-10-27-30(11-13)15-3-5-25-6-4-15/h1-2,7-11,15,25H,3-6H2,(H2,24,26).
What are the key properties of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 423.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118110242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).