[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone

C17H19FN6O2 — CID 97451024

IUPAC[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C17H19FN6O2/c18-14-10-19-16(20-11-14)24-7-8-26-17(12-24)2-5-23(6-3-17)15(25)13-1-4-21-22-9-13/h1,4,9-11H,2-3,5-8,12H2
InChIKeySTEVUFQGWKRHIW-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.92
Rot. Bonds2

About [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone

[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone (PubChem CID 97451024) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
PubChem CID97451024
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C17H19FN6O2/c18-14-10-19-16(20-11-14)24-7-8-26-17(12-24)2-5-23(6-3-17)15(25)13-1-4-21-22-9-13/h1,4,9-11H,2-3,5-8,12H2
InChIKeySTEVUFQGWKRHIW-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 [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone (CID 97451024) is [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
The InChIKey is STEVUFQGWKRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-14-10-19-16(20-11-14)24-7-8-26-17(12-24)2-5-23(6-3-17)15(25)13-1-4-21-22-9-13/h1,4,9-11H,2-3,5-8,12H2.
What are the key properties of [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-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 [4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97451024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).