6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine

C16H24N6O2 — CID 25451422

IUPAC6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCO[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1
InChIInChI=1S/C16H24N6O2/c1-23-12-7-6-10-22(11-12)16-15(21-8-4-2-3-5-9-21)17-13-14(18-16)20-24-19-13/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyXNZJRRANXGXFKF-GFCCVEGCSA-N
MW332.41 g/mol
LogP2.01
Rot. Bonds3

About 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine

6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 25451422) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID25451422
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCO[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1
InChIInChI=1S/C16H24N6O2/c1-23-12-7-6-10-22(11-12)16-15(21-8-4-2-3-5-9-21)17-13-14(18-16)20-24-19-13/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyXNZJRRANXGXFKF-GFCCVEGCSA-N
XLogP2.01
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine with MolForge

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Related Compounds

ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
N-[[(3R)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277232
N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277231
ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 45236696
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 102971605
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
CID 102963320
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45251405
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 25451422) is 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine is CO[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1.
What is the InChIKey of 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is XNZJRRANXGXFKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-23-12-7-6-10-22(11-12)16-15(21-8-4-2-3-5-9-21)17-13-14(18-16)20-24-19-13/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine?
6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 332.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 25451422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).