[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone

C17H20N6O2 — CID 97372446

IUPAC[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H20N6O2/c24-16(14-2-4-20-21-10-14)23-8-9-25-17(13-23)3-1-7-22(12-17)15-11-18-5-6-19-15/h2,4-6,10-11H,1,3,7-9,12-13H2/t17-/m1/s1
InChIKeyFGVYOTCUTRJJIZ-QGZVFWFLSA-N
MW340.39 g/mol
LogP0.78
Rot. Bonds2

About [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone

[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone (PubChem CID 97372446) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
PubChem CID97372446
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H20N6O2/c24-16(14-2-4-20-21-10-14)23-8-9-25-17(13-23)3-1-7-22(12-17)15-11-18-5-6-19-15/h2,4-6,10-11H,1,3,7-9,12-13H2/t17-/m1/s1
InChIKeyFGVYOTCUTRJJIZ-QGZVFWFLSA-N
XLogP0.78
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone (CID 97372446) is [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1.
What is the InChIKey of [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
The InChIKey is FGVYOTCUTRJJIZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16(14-2-4-20-21-10-14)23-8-9-25-17(13-23)3-1-7-22(12-17)15-11-18-5-6-19-15/h2,4-6,10-11H,1,3,7-9,12-13H2/t17-/m1/s1.
What are the key properties of [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
[(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone has a molecular weight of 340.39 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97372446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).