2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen

C24H25N7O2S — CID 157164456

IUPAC2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen
SMILESN#Cc1cc(C(=O)C2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.[H][H].[H][H]
InChIInChI=1S/C24H21N7O2S.2H2/c25-12-16-11-15(21(32)14-3-1-8-27-9-7-14)5-6-17(16)18-13-28-22(26)20(29-18)24-31-30-23(33-24)19-4-2-10-34-19;;/h2,4-6,10-11,13-14,27H,1,3,7-9H2,(H2,26,28);2*1H
InChIKeyAMSZYTASMFTLGH-UHFFFAOYSA-N
MW475.58 g/mol
LogP4.44
Rot. Bonds5

About 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen

2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen (PubChem CID 157164456) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen
PubChem CID157164456
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen
SMILESN#Cc1cc(C(=O)C2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.[H][H].[H][H]
InChIInChI=1S/C24H21N7O2S.2H2/c25-12-16-11-15(21(32)14-3-1-8-27-9-7-14)5-6-17(16)18-13-28-22(26)20(29-18)24-31-30-23(33-24)19-4-2-10-34-19;;/h2,4-6,10-11,13-14,27H,1,3,7-9H2,(H2,26,28);2*1H
InChIKeyAMSZYTASMFTLGH-UHFFFAOYSA-N
XLogP4.44
TPSA143.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen?
The IUPAC name of 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen (CID 157164456) is 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen.
What is the SMILES notation for 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen?
The canonical SMILES for 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen is N#Cc1cc(C(=O)C2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.[H][H].[H][H].
What is the InChIKey of 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen?
The InChIKey is AMSZYTASMFTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2S.2H2/c25-12-16-11-15(21(32)14-3-1-8-27-9-7-14)5-6-17(16)18-13-28-22(26)20(29-18)24-31-30-23(33-24)19-4-2-10-34-19;;/h2,4-6,10-11,13-14,27H,1,3,7-9H2,(H2,26,28);2*1H.
What are the key properties of 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen?
2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen has a molecular weight of 475.58 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(azepane-4-carbonyl)benzonitrile;molecular hydrogen is sourced from PubChem (CID 157164456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).