5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C20H20N6O — CID 66554730

IUPAC5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(7-13)15(8-22-16)18-10-21-9-17(24-18)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26)
InChIKeyBRWANDFSFFFOPJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.37
Rot. Bonds5

About 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 66554730) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID66554730
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(7-13)15(8-22-16)18-10-21-9-17(24-18)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26)
InChIKeyBRWANDFSFFFOPJ-UHFFFAOYSA-N
XLogP4.37
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 66554730) is 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is BRWANDFSFFFOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(7-13)15(8-22-16)18-10-21-9-17(24-18)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26).
What are the key properties of 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 360.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).