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

C19H19N7O — CID 66554558

IUPAC5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCCC5)n4)c3c2)o1
InChIInChI=1S/C19H19N7O/c20-19-25-24-18(27-19)12-4-5-15-13(8-12)14(9-22-15)16-10-21-11-17(23-16)26-6-2-1-3-7-26/h4-5,8-11,22H,1-3,6-7H2,(H2,20,25)
InChIKeyKTWFLQDWXPMQKC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.25
Rot. Bonds3

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

5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66554558) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66554558
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCCC5)n4)c3c2)o1
InChIInChI=1S/C19H19N7O/c20-19-25-24-18(27-19)12-4-5-15-13(8-12)14(9-22-15)16-10-21-11-17(23-16)26-6-2-1-3-7-26/h4-5,8-11,22H,1-3,6-7H2,(H2,20,25)
InChIKeyKTWFLQDWXPMQKC-UHFFFAOYSA-N
XLogP3.25
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66554558) is 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCCC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KTWFLQDWXPMQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c20-19-25-24-18(27-19)12-4-5-15-13(8-12)14(9-22-15)16-10-21-11-17(23-16)26-6-2-1-3-7-26/h4-5,8-11,22H,1-3,6-7H2,(H2,20,25).
What are the key properties of 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-piperidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).