[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone

C17H19FN6O2 — CID 134072507

IUPAC[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN6O2/c18-14-9-19-16(20-10-14)24-5-1-3-17(12-24)11-23(6-7-26-17)15(25)13-2-4-21-22-8-13/h2,4,8-10H,1,3,5-7,11-12H2
InChIKeyCHBALLBWZVJYPC-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.92
Rot. Bonds2

About [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone

[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone (PubChem CID 134072507) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
PubChem CID134072507
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN6O2/c18-14-9-19-16(20-10-14)24-5-1-3-17(12-24)11-23(6-7-26-17)15(25)13-2-4-21-22-8-13/h2,4,8-10H,1,3,5-7,11-12H2
InChIKeyCHBALLBWZVJYPC-UHFFFAOYSA-N
XLogP0.92
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone (CID 134072507) is [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
The InChIKey is CHBALLBWZVJYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-14-9-19-16(20-10-14)24-5-1-3-17(12-24)11-23(6-7-26-17)15(25)13-2-4-21-22-8-13/h2,4,8-10H,1,3,5-7,11-12H2.
What are the key properties of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone?
[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone has a molecular weight of 358.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 134072507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).