6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine

C20H26N8O — CID 45247518

IUPAC6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(CN2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)nc1
InChIInChI=1S/C20H26N8O/c1-2-6-10-27(9-5-1)19-20(23-18-17(22-19)24-29-25-18)28-13-11-26(12-14-28)15-16-7-3-4-8-21-16/h3-4,7-8H,1-2,5-6,9-15H2
InChIKeyUWQNVTLITCHMDP-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.11
Rot. Bonds4

About 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine

6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 45247518) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID45247518
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(CN2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)nc1
InChIInChI=1S/C20H26N8O/c1-2-6-10-27(9-5-1)19-20(23-18-17(22-19)24-29-25-18)28-13-11-26(12-14-28)15-16-7-3-4-8-21-16/h3-4,7-8H,1-2,5-6,9-15H2
InChIKeyUWQNVTLITCHMDP-UHFFFAOYSA-N
XLogP2.11
TPSA87.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(azepan-1-yl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199344
6-(azepan-1-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199545
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42101463
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 45247518) is 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine is c1ccc(CN2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is UWQNVTLITCHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-2-6-10-27(9-5-1)19-20(23-18-17(22-19)24-29-25-18)28-13-11-26(12-14-28)15-16-7-3-4-8-21-16/h3-4,7-8H,1-2,5-6,9-15H2.
What are the key properties of 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 394.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 45247518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).