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

C23H24N8O2S — CID 158092516

IUPAC2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen
SMILESN#Cc1cc(C(=O)N2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.[H][H].[H][H]
InChIInChI=1S/C23H20N8O2S.2H2/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18;;/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27);2*1H
InChIKeyFOGXUDPVNLCBOO-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.30
Rot. Bonds4

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

2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen (PubChem CID 158092516) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-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-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen
PubChem CID158092516
Molecular FormulaC23H24N8O2S
Molecular Weight476.57 g/mol
Exact Mass476.17
IUPAC Name2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen
SMILESN#Cc1cc(C(=O)N2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.[H][H].[H][H]
InChIInChI=1S/C23H20N8O2S.2H2/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18;;/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27);2*1H
InChIKeyFOGXUDPVNLCBOO-UHFFFAOYSA-N
XLogP3.30
TPSA146.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[5-[5-[(2,2-Difluoroethylamino)methyl]-2-thienyl]-1,3,4-oxadiazol-2-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine
CID 59472103
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]-(1,4-diazepan-1-yl)methanone
CID 59472164
Synthesis of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-dimethylaminoethyl)pyridin-2-one
CID 54672749
3-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
CID 54673242
2-[5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
CID 54675127
5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-tetrahydrofuran-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-isopropyl-pyridin-2-one
CID 58070495
4-(5-amino-6-(5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide
CID 59471616
4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471622
4-[5-amino-6-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethyl-benzamide
CID 59471677
4-[5-amino-6-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471691
5-(4-Propan-2-ylsulfonylphenyl)-3-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471694
2-[5-Amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile
CID 59471701

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-(1,4-diazepane-1-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-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen (CID 158092516) is 2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-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-(1,4-diazepane-1-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-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen is N#Cc1cc(C(=O)N2CCCNCC2)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-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen?
The InChIKey is FOGXUDPVNLCBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2S.2H2/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18;;/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27);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-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen?
2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen has a molecular weight of 476.57 g/mol, XLogP of 3.30, 4 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-(1,4-diazepane-1-carbonyl)benzonitrile;molecular hydrogen is sourced from PubChem (CID 158092516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).