pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone

C15H16N4O3 — CID 75536892

IUPACpyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C15H16N4O3/c20-15(14-9-17-4-5-18-14)19-6-7-21-11-13(10-19)22-12-2-1-3-16-8-12/h1-5,8-9,13H,6-7,10-11H2/t13-/m1/s1
InChIKeyATSPPOSTUBVZNH-CYBMUJFWSA-N
MW300.32 g/mol
LogP0.79
Rot. Bonds3

About pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone

pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone (PubChem CID 75536892) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
PubChem CID75536892
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namepyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C15H16N4O3/c20-15(14-9-17-4-5-18-14)19-6-7-21-11-13(10-19)22-12-2-1-3-16-8-12/h1-5,8-9,13H,6-7,10-11H2/t13-/m1/s1
InChIKeyATSPPOSTUBVZNH-CYBMUJFWSA-N
XLogP0.79
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone (CID 75536892) is pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone is O=C(c1cnccn1)N1CCOC[C@H](Oc2cccnc2)C1.
What is the InChIKey of pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone?
The InChIKey is ATSPPOSTUBVZNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-15(14-9-17-4-5-18-14)19-6-7-21-11-13(10-19)22-12-2-1-3-16-8-12/h1-5,8-9,13H,6-7,10-11H2/t13-/m1/s1.
What are the key properties of pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone?
pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone has a molecular weight of 300.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75536892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).