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

C18H17N7O — CID 66554555

IUPAC5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(NCC5CC5)n4)c3c2)o1
InChIInChI=1S/C18H17N7O/c19-18-25-24-17(26-18)11-3-4-14-12(5-11)13(7-21-14)15-8-20-9-16(23-15)22-6-10-1-2-10/h3-5,7-10,21H,1-2,6H2,(H2,19,25)(H,22,23)
InChIKeyOBPOSYGZESRPFM-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.08
Rot. Bonds5

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

5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66554555) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66554555
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(NCC5CC5)n4)c3c2)o1
InChIInChI=1S/C18H17N7O/c19-18-25-24-17(26-18)11-3-4-14-12(5-11)13(7-21-14)15-8-20-9-16(23-15)22-6-10-1-2-10/h3-5,7-10,21H,1-2,6H2,(H2,19,25)(H,22,23)
InChIKeyOBPOSYGZESRPFM-UHFFFAOYSA-N
XLogP3.08
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
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-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66554555) is 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(NCC5CC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OBPOSYGZESRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c19-18-25-24-17(26-18)11-3-4-14-12(5-11)13(7-21-14)15-8-20-9-16(23-15)22-6-10-1-2-10/h3-5,7-10,21H,1-2,6H2,(H2,19,25)(H,22,23).
What are the key properties of 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 347.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).