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

C19H19N7O — CID 66555074

IUPAC5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(NC5CCCC5)n4)c3c2)o1
InChIInChI=1S/C19H19N7O/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
InChIKeyHFUZHVLXCKATBR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.61
Rot. Bonds4

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

5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66555074) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66555074
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(NC5CCCC5)n4)c3c2)o1
InChIInChI=1S/C19H19N7O/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
InChIKeyHFUZHVLXCKATBR-UHFFFAOYSA-N
XLogP3.61
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66555074) is 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(NC5CCCC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HFUZHVLXCKATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24).
What are the key properties of 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66555074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).