N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C22H30N8O — CID 45229020

IUPACN-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCCN1CCN(C2CCN(c3nc4nonc4nc3NCc3ccccc3)CC2)CC1
InChIInChI=1S/C22H30N8O/c1-2-28-12-14-29(15-13-28)18-8-10-30(11-9-18)22-21(23-16-17-6-4-3-5-7-17)24-19-20(25-22)27-31-26-19/h3-7,18H,2,8-16H2,1H3,(H,23,24,26)
InChIKeyFPAWMWBIJVIDSS-UHFFFAOYSA-N
MW422.54 g/mol
LogP2.23
Rot. Bonds6

About N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 45229020) has the molecular formula C22H30N8O and a molecular weight of 422.54 g/mol. Its IUPAC name is N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID45229020
Molecular FormulaC22H30N8O
Molecular Weight422.54 g/mol
Exact Mass422.25
IUPAC NameN-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCCN1CCN(C2CCN(c3nc4nonc4nc3NCc3ccccc3)CC2)CC1
InChIInChI=1S/C22H30N8O/c1-2-28-12-14-29(15-13-28)18-8-10-30(11-9-18)22-21(23-16-17-6-4-3-5-7-17)24-19-20(25-22)27-31-26-19/h3-7,18H,2,8-16H2,1H3,(H,23,24,26)
InChIKeyFPAWMWBIJVIDSS-UHFFFAOYSA-N
XLogP2.23
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 45229020) is N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is CCN1CCN(C2CCN(c3nc4nonc4nc3NCc3ccccc3)CC2)CC1.
What is the InChIKey of N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is FPAWMWBIJVIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O/c1-2-28-12-14-29(15-13-28)18-8-10-30(11-9-18)22-21(23-16-17-6-4-3-5-7-17)24-19-20(25-22)27-31-26-19/h3-7,18H,2,8-16H2,1H3,(H,23,24,26).
What are the key properties of N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 422.54 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 45229020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).