5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine

C17H13F2N7O — CID 162722416

About 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 162722416) has the molecular formula C17H13F2N7O and a molecular weight of 369.34 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine
• PubChem CID: 162722416
• Molecular Formula: C17H13F2N7O
• Molecular Weight: 369.34 g/mol
• Exact Mass: 369.11
• IUPAC Name: 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine
• SMILES: Nc1ccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)cn1
• InChI: InChI=1S/C17H13F2N7O/c18-15(19)17-25-24-16(27-17)11-1-3-13(21-6-11)9-26-8-12(7-23-26)10-2-4-14(20)22-5-10/h1-8,15H,9H2,(H2,20,22)
• InChIKey: JZEOPNVLCLUFDT-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 108.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.34
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine?

The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine (CID 162722416) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine?

The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2)cn1.

What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine?

The InChIKey is JZEOPNVLCLUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7O/c18-15(19)17-25-24-16(27-17)11-1-3-13(21-6-11)9-26-8-12(7-23-26)10-2-4-14(20)22-5-10/h1-8,15H,9H2,(H2,20,22).

What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine?

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 369.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).