1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane

C15H14N6O — CID 164609415

IUPAC1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane
SMILESc1cnn2ncc(-c3ccnc(N4CCC45COC5)n3)c2c1
InChIInChI=1S/C15H14N6O/c1-2-13-11(8-18-21(13)17-5-1)12-3-6-16-14(19-12)20-7-4-15(20)9-22-10-15/h1-3,5-6,8H,4,7,9-10H2
InChIKeyGWYVJHVSKVKURZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.17
Rot. Bonds2

About 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane

1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane (PubChem CID 164609415) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane
PubChem CID164609415
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane
SMILESc1cnn2ncc(-c3ccnc(N4CCC45COC5)n3)c2c1
InChIInChI=1S/C15H14N6O/c1-2-13-11(8-18-21(13)17-5-1)12-3-6-16-14(19-12)20-7-4-15(20)9-22-10-15/h1-3,5-6,8H,4,7,9-10H2
InChIKeyGWYVJHVSKVKURZ-UHFFFAOYSA-N
XLogP1.17
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane?
The IUPAC name of 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane (CID 164609415) is 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane.
What is the SMILES notation for 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane?
The canonical SMILES for 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane is c1cnn2ncc(-c3ccnc(N4CCC45COC5)n3)c2c1.
What is the InChIKey of 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane?
The InChIKey is GWYVJHVSKVKURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-2-13-11(8-18-21(13)17-5-1)12-3-6-16-14(19-12)20-7-4-15(20)9-22-10-15/h1-3,5-6,8H,4,7,9-10H2.
What are the key properties of 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane?
1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane has a molecular weight of 294.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane is sourced from PubChem (CID 164609415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).