[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen

C23H23N7O2 — CID 162006828

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen
SMILESNc1ncc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C23H21N7O2.H2/c24-20-19(22-28-27-21(32-22)16-7-3-1-4-8-16)26-18(15-25-20)29-11-13-30(14-12-29)23(31)17-9-5-2-6-10-17;/h1-10,15H,11-14H2,(H2,24,25);1H
InChIKeyYSYDUBPRWJBZPU-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.98
Rot. Bonds4

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen (PubChem CID 162006828) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen
PubChem CID162006828
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen
SMILESNc1ncc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C23H21N7O2.H2/c24-20-19(22-28-27-21(32-22)16-7-3-1-4-8-16)26-18(15-25-20)29-11-13-30(14-12-29)23(31)17-9-5-2-6-10-17;/h1-10,15H,11-14H2,(H2,24,25);1H
InChIKeyYSYDUBPRWJBZPU-UHFFFAOYSA-N
XLogP2.98
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen (CID 162006828) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen is Nc1ncc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H].
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen?
The InChIKey is YSYDUBPRWJBZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2.H2/c24-20-19(22-28-27-21(32-22)16-7-3-1-4-8-16)26-18(15-25-20)29-11-13-30(14-12-29)23(31)17-9-5-2-6-10-17;/h1-10,15H,11-14H2,(H2,24,25);1H.
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen has a molecular weight of 429.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-phenylmethanone;molecular hydrogen is sourced from PubChem (CID 162006828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).