1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen

C22H26N6O4 — CID 157462551

IUPAC1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen
SMILESCOCCOCC(=O)N1CC=C(c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)CC1.[H][H]
InChIInChI=1S/C22H24N6O4.H2/c1-30-11-12-31-14-18(29)28-9-7-15(8-10-28)17-13-24-20(23)19(25-17)22-27-26-21(32-22)16-5-3-2-4-6-16;/h2-7,13H,8-12,14H2,1H3,(H2,23,24);1H
InChIKeyBUCDUUIGHPCUIO-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.30
Rot. Bonds8

About 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen

1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen (PubChem CID 157462551) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen
PubChem CID157462551
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen
SMILESCOCCOCC(=O)N1CC=C(c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)CC1.[H][H]
InChIInChI=1S/C22H24N6O4.H2/c1-30-11-12-31-14-18(29)28-9-7-15(8-10-28)17-13-24-20(23)19(25-17)22-27-26-21(32-22)16-5-3-2-4-6-16;/h2-7,13H,8-12,14H2,1H3,(H2,23,24);1H
InChIKeyBUCDUUIGHPCUIO-UHFFFAOYSA-N
XLogP2.30
TPSA129.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen?
The IUPAC name of 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen (CID 157462551) is 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen.
What is the SMILES notation for 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen?
The canonical SMILES for 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen is COCCOCC(=O)N1CC=C(c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)CC1.[H][H].
What is the InChIKey of 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen?
The InChIKey is BUCDUUIGHPCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4.H2/c1-30-11-12-31-14-18(29)28-9-7-15(8-10-28)17-13-24-20(23)19(25-17)22-27-26-21(32-22)16-5-3-2-4-6-16;/h2-7,13H,8-12,14H2,1H3,(H2,23,24);1H.
What are the key properties of 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen?
1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen has a molecular weight of 438.49 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;molecular hydrogen is sourced from PubChem (CID 157462551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).