2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole

C20H19N7O — CID 126962084

IUPAC2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole
SMILESc1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(C2CCNN2)o1
InChIInChI=1S/C20H19N7O/c1-2-11(1)17-9-21-10-18(24-17)14-8-22-15-4-3-12(7-13(14)15)19-26-27-20(28-19)16-5-6-23-25-16/h3-4,7-11,16,22-23,25H,1-2,5-6H2
InChIKeyRHJNIAJLMGBDOL-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole

2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole (PubChem CID 126962084) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole
PubChem CID126962084
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole
SMILESc1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(C2CCNN2)o1
InChIInChI=1S/C20H19N7O/c1-2-11(1)17-9-21-10-18(24-17)14-8-22-15-4-3-12(7-13(14)15)19-26-27-20(28-19)16-5-6-23-25-16/h3-4,7-11,16,22-23,25H,1-2,5-6H2
InChIKeyRHJNIAJLMGBDOL-UHFFFAOYSA-N
XLogP3.09
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole (CID 126962084) is 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole is c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(C2CCNN2)o1.
What is the InChIKey of 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole?
The InChIKey is RHJNIAJLMGBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-2-11(1)17-9-21-10-18(24-17)14-8-22-15-4-3-12(7-13(14)15)19-26-27-20(28-19)16-5-6-23-25-16/h3-4,7-11,16,22-23,25H,1-2,5-6H2.
What are the key properties of 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole?
2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole has a molecular weight of 373.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-5-pyrazolidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 126962084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).