[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone

C23H22N8O2 — CID 59471769

IUPAC[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)nc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H22N8O2/c24-20-19(22-30-29-21(33-22)15-5-2-1-3-6-15)28-18(14-27-20)16-7-8-17(26-13-16)23(32)31-11-4-9-25-10-12-31/h1-3,5-8,13-14,25H,4,9-12H2,(H2,24,27)
InChIKeyZOHXTQKTKNGZHS-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.27
Rot. Bonds4

About [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone

[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone (PubChem CID 59471769) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone
PubChem CID59471769
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)nc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H22N8O2/c24-20-19(22-30-29-21(33-22)15-5-2-1-3-6-15)28-18(14-27-20)16-7-8-17(26-13-16)23(32)31-11-4-9-25-10-12-31/h1-3,5-8,13-14,25H,4,9-12H2,(H2,24,27)
InChIKeyZOHXTQKTKNGZHS-UHFFFAOYSA-N
XLogP2.27
TPSA135.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone (CID 59471769) is [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone is Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)nc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone?
The InChIKey is ZOHXTQKTKNGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c24-20-19(22-30-29-21(33-22)15-5-2-1-3-6-15)28-18(14-27-20)16-7-8-17(26-13-16)23(32)31-11-4-9-25-10-12-31/h1-3,5-8,13-14,25H,4,9-12H2,(H2,24,27).
What are the key properties of [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone?
[5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone has a molecular weight of 442.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 59471769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).