5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C18H15F2N7O — CID 66555077

About 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66555077) has the molecular formula C18H15F2N7O and a molecular weight of 383.36 g/mol. Its IUPAC name is 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 66555077
• Molecular Formula: C18H15F2N7O
• Molecular Weight: 383.36 g/mol
• Exact Mass: 383.13
• IUPAC Name: 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
• SMILES: Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)C5)n4)c3c2)o1
• InChI: InChI=1S/C18H15F2N7O/c19-18(20)3-4-27(9-18)15-8-22-7-14(24-15)12-6-23-13-2-1-10(5-11(12)13)16-25-26-17(21)28-16/h1-2,5-8,23H,3-4,9H2,(H2,21,26)
• InChIKey: WAGFUTAXHIKUFA-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 109.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.36
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66555077) is 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)C5)n4)c3c2)o1.

What is the InChIKey of 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?

The InChIKey is WAGFUTAXHIKUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7O/c19-18(20)3-4-27(9-18)15-8-22-7-14(24-15)12-6-23-13-2-1-10(5-11(12)13)16-25-26-17(21)28-16/h1-2,5-8,23H,3-4,9H2,(H2,21,26).

What are the key properties of 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?

5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 383.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66555077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).