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

C17H17N7O — CID 66554557

IUPAC5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1
InChIInChI=1S/C17H17N7O/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
InChIKeyUIGVFGIYKFGMBS-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.08
Rot. Bonds4

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

5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66554557) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66554557
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1
InChIInChI=1S/C17H17N7O/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
InChIKeyUIGVFGIYKFGMBS-UHFFFAOYSA-N
XLogP3.08
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66554557) is 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1.
What is the InChIKey of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UIGVFGIYKFGMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22).
What are the key properties of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 335.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).